4-[3-(3,7-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]benzonitrile

C39H25N3 — CID 118260329

IUPAC4-[3-(3,7-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4ccc5c(ccn5-c5ccccc5)c43)c2)cc1
InChIInChI=1S/C39H25N3/c40-26-27-14-16-29(17-15-27)30-10-7-13-33(24-30)42-38-20-18-31(28-8-3-1-4-9-28)25-36(38)34-19-21-37-35(39(34)42)22-23-41(37)32-11-5-2-6-12-32/h1-25H
InChIKeyFSMIMSSZCBVNOB-UHFFFAOYSA-N
MW535.65 g/mol
LogP9.93
Rot. Bonds4

About 4-[3-(3,7-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]benzonitrile

4-[3-(3,7-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]benzonitrile (PubChem CID 118260329) has the molecular formula C39H25N3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 4-[3-(3,7-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[3-(3,7-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]benzonitrile
PubChem CID118260329
Molecular FormulaC39H25N3
Molecular Weight535.65 g/mol
Exact Mass535.20
IUPAC Name4-[3-(3,7-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4ccc5c(ccn5-c5ccccc5)c43)c2)cc1
InChIInChI=1S/C39H25N3/c40-26-27-14-16-29(17-15-27)30-10-7-13-33(24-30)42-38-20-18-31(28-8-3-1-4-9-28)25-36(38)34-19-21-37-35(39(34)42)22-23-41(37)32-11-5-2-6-12-32/h1-25H
InChIKeyFSMIMSSZCBVNOB-UHFFFAOYSA-N
XLogP9.93
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118314949
3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole
CID 144815931
10-[3-(10-phenylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315429
3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118314952
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
10-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315552
10-(3,5-diphenylphenyl)-3-phenyl-7-(4-pyridin-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 123851568
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
17-phenyl-3-(3-pyridin-4-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene
CID 90223481
3,7-diphenylpyrrolo[3,2-a]carbazol-10-amine
CID 90090983
10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole
CID 123855257
3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118315497

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,7-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]benzonitrile?
The IUPAC name of 4-[3-(3,7-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]benzonitrile (CID 118260329) is 4-[3-(3,7-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]benzonitrile.
What is the SMILES notation for 4-[3-(3,7-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]benzonitrile?
The canonical SMILES for 4-[3-(3,7-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]benzonitrile is N#Cc1ccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4ccc5c(ccn5-c5ccccc5)c43)c2)cc1.
What is the InChIKey of 4-[3-(3,7-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]benzonitrile?
The InChIKey is FSMIMSSZCBVNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3/c40-26-27-14-16-29(17-15-27)30-10-7-13-33(24-30)42-38-20-18-31(28-8-3-1-4-9-28)25-36(38)34-19-21-37-35(39(34)42)22-23-41(37)32-11-5-2-6-12-32/h1-25H.
What are the key properties of 4-[3-(3,7-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]benzonitrile?
4-[3-(3,7-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]benzonitrile has a molecular weight of 535.65 g/mol, XLogP of 9.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,7-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]benzonitrile is sourced from PubChem (CID 118260329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).