6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile

C37H23N3 — CID 126690271

IUPAC6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
SMILESN#Cc1ccc2c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C37H23N3/c38-24-25-14-20-32-33-23-27(17-21-36(33)40(37(32)22-25)28-8-2-1-3-9-28)26-15-18-29(19-16-26)39-34-12-6-4-10-30(34)31-11-5-7-13-35(31)39/h1-23H
InChIKeyAXJFLVCLMDPUGA-UHFFFAOYSA-N
MW509.61 g/mol
LogP9.42
Rot. Bonds3

About 6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile

6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile (PubChem CID 126690271) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile.

Molecular Properties

Compound Name6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
PubChem CID126690271
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
SMILESN#Cc1ccc2c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C37H23N3/c38-24-25-14-20-32-33-23-27(17-21-36(33)40(37(32)22-25)28-8-2-1-3-9-28)26-15-18-29(19-16-26)39-34-12-6-4-10-30(34)31-11-5-7-13-35(31)39/h1-23H
InChIKeyAXJFLVCLMDPUGA-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

3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 145134822
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;4-[3-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;4-[4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile
CID 157150513
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
9-[9-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]carbazol-3-yl]carbazole-2-carbonitrile
CID 154958176
2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418130
2-methyl-6-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;2-methyl-7-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;6-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole-3-carbonitrile
CID 160584678
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 167403949

Frequently Asked Questions

What is the IUPAC name of 6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile?
The IUPAC name of 6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile (CID 126690271) is 6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile.
What is the SMILES notation for 6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile?
The canonical SMILES for 6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile is N#Cc1ccc2c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile?
The InChIKey is AXJFLVCLMDPUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c38-24-25-14-20-32-33-23-27(17-21-36(33)40(37(32)22-25)28-8-2-1-3-9-28)26-15-18-29(19-16-26)39-34-12-6-4-10-30(34)31-11-5-7-13-35(31)39/h1-23H.
What are the key properties of 6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile?
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile 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 6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile is sourced from PubChem (CID 126690271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).