9-Phenyl-3,3'-bicarbazolyl

Introduction

CAS No. :	1060735-14-9	MDL No. :	MFCD22581311
Formula :	C30H20N2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	GKTLHQFSIDFAJH-UHFFFAOYSA-N
M.W :	408.49	Pubchem ID :	59306629
Synonyms :

Physicochemical Properties

Num. heavy atoms :	32
Num. arom. heavy atoms :	32
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	0.0
Num. H-bond donors :	1.0
Molar Refractivity :	135.58
TPSA :	20.72 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.05 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.83
Log Po/w (XLOGP3) :	8.09
Log Po/w (WLOGP) :	8.09
Log Po/w (MLOGP) :	6.02
Log Po/w (SILICOS-IT) :	7.09
Consensus Log Po/w :	6.62

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	1.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-8.08
Solubility :	0.00000342 mg/ml ; 0.0000000084 mol/l
Class :	Poorly soluble
Log S (Ali) :	-8.38
Solubility :	0.0000017 mg/ml ; 0.0000000042 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-11.64
Solubility :	0.0000000009 mg/ml ; 0.0 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.48

Signal Word:	Warning	Class:
Precautionary Statements:	P273-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H412	Packing Group:
GHS Pictogram:

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