2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile

C37H23N3 — CID 153302040

IUPAC2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1ccccc1-n1c2ccccc2c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C37H23N3/c38-24-27-10-4-7-15-33(27)40-35-17-9-6-14-30(35)32-21-19-26(23-37(32)40)25-18-20-31-29-13-5-8-16-34(29)39(36(31)22-25)28-11-2-1-3-12-28/h1-23H
InChIKeyRNCLJSKFDZSTRL-UHFFFAOYSA-N
MW509.61 g/mol
LogP9.42
Rot. Bonds3

About 2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile

2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile (PubChem CID 153302040) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
PubChem CID153302040
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1ccccc1-n1c2ccccc2c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C37H23N3/c38-24-27-10-4-7-15-33(27)40-35-17-9-6-14-30(35)32-21-19-26(23-37(32)40)25-18-20-31-29-13-5-8-16-34(29)39(36(31)22-25)28-11-2-1-3-12-28/h1-23H
InChIKeyRNCLJSKFDZSTRL-UHFFFAOYSA-N
XLogP9.42
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile
CID 139351898
2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418130
2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 155232570
2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 59858750
2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile
CID 155357795
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418325
4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170050483
9-[5-[3-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile
CID 152797352
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile
CID 134597735
9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171438085
2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 122414507

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile (CID 153302040) is 2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile is N#Cc1ccccc1-n1c2ccccc2c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21.
What is the InChIKey of 2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile?
The InChIKey is RNCLJSKFDZSTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c38-24-27-10-4-7-15-33(27)40-35-17-9-6-14-30(35)32-21-19-26(23-37(32)40)25-18-20-31-29-13-5-8-16-34(29)39(36(31)22-25)28-11-2-1-3-12-28/h1-23H.
What are the key properties of 2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile?
2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile has a molecular weight of 509.61 g/mol, XLogP of 9.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 153302040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).