6-(4-benzo[c]acridin-5-ylphenyl)-9-phenylcarbazole-2-carbonitrile

C42H25N3 — CID 134169171

IUPAC6-(4-benzo[c]acridin-5-ylphenyl)-9-phenylcarbazole-2-carbonitrile
SMILESN#Cc1ccc2c3cc(-c4ccc(-c5cc6cc7ccccc7nc6c6ccccc56)cc4)ccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C42H25N3/c43-26-27-14-20-35-38-24-30(19-21-40(38)45(41(35)22-27)33-9-2-1-3-10-33)28-15-17-29(18-16-28)37-25-32-23-31-8-4-7-13-39(31)44-42(32)36-12-6-5-11-34(36)37/h1-25H
InChIKeyPIRJZRVOEMFBDW-UHFFFAOYSA-N
MW571.68 g/mol
LogP10.84
Rot. Bonds3

About 6-(4-benzo[c]acridin-5-ylphenyl)-9-phenylcarbazole-2-carbonitrile

6-(4-benzo[c]acridin-5-ylphenyl)-9-phenylcarbazole-2-carbonitrile (PubChem CID 134169171) has the molecular formula C42H25N3 and a molecular weight of 571.68 g/mol. Its IUPAC name is 6-(4-benzo[c]acridin-5-ylphenyl)-9-phenylcarbazole-2-carbonitrile.

Molecular Properties

Compound Name6-(4-benzo[c]acridin-5-ylphenyl)-9-phenylcarbazole-2-carbonitrile
PubChem CID134169171
Molecular FormulaC42H25N3
Molecular Weight571.68 g/mol
Exact Mass571.20
IUPAC Name6-(4-benzo[c]acridin-5-ylphenyl)-9-phenylcarbazole-2-carbonitrile
SMILESN#Cc1ccc2c3cc(-c4ccc(-c5cc6cc7ccccc7nc6c6ccccc56)cc4)ccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C42H25N3/c43-26-27-14-20-35-38-24-30(19-21-40(38)45(41(35)22-27)33-9-2-1-3-10-33)28-15-17-29(18-16-28)37-25-32-23-31-8-4-7-13-39(31)44-42(32)36-12-6-5-11-34(36)37/h1-25H
InChIKeyPIRJZRVOEMFBDW-UHFFFAOYSA-N
XLogP10.84
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.68
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
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
6-[10-([1,4]benzodioxino[3,2-b]quinoxalin-3-yl)anthracen-9-yl]-9-phenylcarbazole-2-carbonitrile
CID 135215030
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
9-phenyl-6-[3-(9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-13-yl)phenyl]carbazole-2-carbonitrile
CID 129088892
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 167403949
4-[2-chloro-6-[4-(9-phenylcarbazol-3-yl)phenyl]pyrimidin-4-yl]benzonitrile
CID 144600879
9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081041
3-[4-[4-[2-(4-naphthalen-1-ylphenyl)ethynyl]phenyl]phenyl]-9-phenylcarbazole
CID 129041123
6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole-2-carbonitrile;6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole-3-carbonitrile;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-3-yl]silane
CID 159693921
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzo[c]acridin-5-ylphenyl)-9-phenylcarbazole-2-carbonitrile?
The IUPAC name of 6-(4-benzo[c]acridin-5-ylphenyl)-9-phenylcarbazole-2-carbonitrile (CID 134169171) is 6-(4-benzo[c]acridin-5-ylphenyl)-9-phenylcarbazole-2-carbonitrile.
What is the SMILES notation for 6-(4-benzo[c]acridin-5-ylphenyl)-9-phenylcarbazole-2-carbonitrile?
The canonical SMILES for 6-(4-benzo[c]acridin-5-ylphenyl)-9-phenylcarbazole-2-carbonitrile is N#Cc1ccc2c3cc(-c4ccc(-c5cc6cc7ccccc7nc6c6ccccc56)cc4)ccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 6-(4-benzo[c]acridin-5-ylphenyl)-9-phenylcarbazole-2-carbonitrile?
The InChIKey is PIRJZRVOEMFBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3/c43-26-27-14-20-35-38-24-30(19-21-40(38)45(41(35)22-27)33-9-2-1-3-10-33)28-15-17-29(18-16-28)37-25-32-23-31-8-4-7-13-39(31)44-42(32)36-12-6-5-11-34(36)37/h1-25H.
What are the key properties of 6-(4-benzo[c]acridin-5-ylphenyl)-9-phenylcarbazole-2-carbonitrile?
6-(4-benzo[c]acridin-5-ylphenyl)-9-phenylcarbazole-2-carbonitrile has a molecular weight of 571.68 g/mol, XLogP of 10.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzo[c]acridin-5-ylphenyl)-9-phenylcarbazole-2-carbonitrile is sourced from PubChem (CID 134169171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).