9-[3-(5-isocyano-3-pyridinyl)phenyl]-5,7-diphenylbenzo[c]carbazole

C40H25N3 — CID 140768957

IUPAC9-[3-(5-isocyano-3-pyridinyl)phenyl]-5,7-diphenylbenzo[c]carbazole
SMILES[C-]#[N+]c1cncc(-c2cccc(-c3ccc4c5c6ccccc6c(-c6ccccc6)cc5n(-c5ccccc5)c4c3)c2)c1
InChIInChI=1S/C40H25N3/c1-41-32-22-31(25-42-26-32)29-14-10-13-28(21-29)30-19-20-36-38(23-30)43(33-15-6-3-7-16-33)39-24-37(27-11-4-2-5-12-27)34-17-8-9-18-35(34)40(36)39/h2-26H
InChIKeyHQKOIHONLJEUEP-UHFFFAOYSA-N
MW547.66 g/mol
LogP10.88
Rot. Bonds4

About 9-[3-(5-isocyano-3-pyridinyl)phenyl]-5,7-diphenylbenzo[c]carbazole

9-[3-(5-isocyano-3-pyridinyl)phenyl]-5,7-diphenylbenzo[c]carbazole (PubChem CID 140768957) has the molecular formula C40H25N3 and a molecular weight of 547.66 g/mol. Its IUPAC name is 9-[3-(5-isocyano-3-pyridinyl)phenyl]-5,7-diphenylbenzo[c]carbazole.

Molecular Properties

Compound Name9-[3-(5-isocyano-3-pyridinyl)phenyl]-5,7-diphenylbenzo[c]carbazole
PubChem CID140768957
Molecular FormulaC40H25N3
Molecular Weight547.66 g/mol
Exact Mass547.20
IUPAC Name9-[3-(5-isocyano-3-pyridinyl)phenyl]-5,7-diphenylbenzo[c]carbazole
SMILES[C-]#[N+]c1cncc(-c2cccc(-c3ccc4c5c6ccccc6c(-c6ccccc6)cc5n(-c5ccccc5)c4c3)c2)c1
InChIInChI=1S/C40H25N3/c1-41-32-22-31(25-42-26-32)29-14-10-13-28(21-29)30-19-20-36-38(23-30)43(33-15-6-3-7-16-33)39-24-37(27-11-4-2-5-12-27)34-17-8-9-18-35(34)40(36)39/h2-26H
InChIKeyHQKOIHONLJEUEP-UHFFFAOYSA-N
XLogP10.88
TPSA22.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.66
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 9-[3-(5-isocyano-3-pyridinyl)phenyl]-5,7-diphenylbenzo[c]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile
CID 118397718
5-[4-[5-[4-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[g]carbazol-9-yl]phenyl]pyridine-3-carbonitrile
CID 118397694
4-(5,7-diphenylbenzo[g]carbazol-9-yl)pyridine-2-carbonitrile
CID 118397508
7-phenyl-5-[4-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole
CID 164843445
7-phenyl-5,9-bis(6-pyridin-2-yl-3-pyridinyl)benzo[c]carbazole
CID 141295897
5-[3-(6-methyl-2-pyridinyl)phenyl]-9-naphthalen-2-yl-7-phenylbenzo[c]carbazole
CID 118895360
9-[5-(2,7-diphenylcarbazol-9-yl)-4-(3-isocyanophenyl)-3-pyridinyl]-2,7-diphenylcarbazole
CID 153486509
2-isocyano-9-phenyl-7-(7-phenylpyren-2-yl)carbazole;2-isocyano-9-phenyl-7-pyren-2-ylcarbazole;2-isocyano-9-phenyl-7-(7-pyridin-3-ylpyren-2-yl)carbazole
CID 160942314
5,9-diphenyl-7-[4-(4-phenylphenyl)quinolin-2-yl]benzo[c]carbazole
CID 144640327
2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 121306178
5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215703
3-isocyano-5-[3-(5-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-yl)phenyl]pyridine
CID 140769113

Frequently Asked Questions

What is the IUPAC name of 9-[3-(5-isocyano-3-pyridinyl)phenyl]-5,7-diphenylbenzo[c]carbazole?
The IUPAC name of 9-[3-(5-isocyano-3-pyridinyl)phenyl]-5,7-diphenylbenzo[c]carbazole (CID 140768957) is 9-[3-(5-isocyano-3-pyridinyl)phenyl]-5,7-diphenylbenzo[c]carbazole.
What is the SMILES notation for 9-[3-(5-isocyano-3-pyridinyl)phenyl]-5,7-diphenylbenzo[c]carbazole?
The canonical SMILES for 9-[3-(5-isocyano-3-pyridinyl)phenyl]-5,7-diphenylbenzo[c]carbazole is [C-]#[N+]c1cncc(-c2cccc(-c3ccc4c5c6ccccc6c(-c6ccccc6)cc5n(-c5ccccc5)c4c3)c2)c1.
What is the InChIKey of 9-[3-(5-isocyano-3-pyridinyl)phenyl]-5,7-diphenylbenzo[c]carbazole?
The InChIKey is HQKOIHONLJEUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3/c1-41-32-22-31(25-42-26-32)29-14-10-13-28(21-29)30-19-20-36-38(23-30)43(33-15-6-3-7-16-33)39-24-37(27-11-4-2-5-12-27)34-17-8-9-18-35(34)40(36)39/h2-26H.
What are the key properties of 9-[3-(5-isocyano-3-pyridinyl)phenyl]-5,7-diphenylbenzo[c]carbazole?
9-[3-(5-isocyano-3-pyridinyl)phenyl]-5,7-diphenylbenzo[c]carbazole has a molecular weight of 547.66 g/mol, XLogP of 10.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(5-isocyano-3-pyridinyl)phenyl]-5,7-diphenylbenzo[c]carbazole is sourced from PubChem (CID 140768957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).