3-[3-(2-naphthalen-2-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile

C46H29N3 — CID 140922166

IUPAC3-[3-(2-naphthalen-2-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3cccc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(-c5ccc6ccccc6c5)cc43)c2)c1
InChIInChI=1S/C46H29N3/c47-30-31-10-8-15-34(24-31)38-26-39(44-18-9-17-43(48-44)33-12-2-1-3-13-33)28-40(27-38)49-45-19-7-6-16-41(45)42-23-22-37(29-46(42)49)36-21-20-32-11-4-5-14-35(32)25-36/h1-29H
InChIKeyPNALUYYRZFQPQI-UHFFFAOYSA-N
MW623.76 g/mol
LogP11.87
Rot. Bonds5

About 3-[3-(2-naphthalen-2-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile

3-[3-(2-naphthalen-2-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile (PubChem CID 140922166) has the molecular formula C46H29N3 and a molecular weight of 623.76 g/mol. Its IUPAC name is 3-[3-(2-naphthalen-2-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[3-(2-naphthalen-2-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile
PubChem CID140922166
Molecular FormulaC46H29N3
Molecular Weight623.76 g/mol
Exact Mass623.24
IUPAC Name3-[3-(2-naphthalen-2-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3cccc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(-c5ccc6ccccc6c5)cc43)c2)c1
InChIInChI=1S/C46H29N3/c47-30-31-10-8-15-34(24-31)38-26-39(44-18-9-17-43(48-44)33-12-2-1-3-13-33)28-40(27-38)49-45-19-7-6-16-41(45)42-23-22-37(29-46(42)49)36-21-20-32-11-4-5-14-35(32)25-36/h1-29H
InChIKeyPNALUYYRZFQPQI-UHFFFAOYSA-N
XLogP11.87
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2,6-diphenyl-4-pyridinyl)-5-(2-naphthalen-1-ylcarbazol-9-yl)phenyl]benzonitrile;3-[3-(2,6-diphenyl-4-pyridinyl)-5-(2-naphthalen-2-ylcarbazol-9-yl)phenyl]benzonitrile;3-[3-(2,6-diphenyl-4-pyridinyl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 159832743
3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile
CID 126610495
9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 126610498
3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 161408027
9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole
CID 169016925
2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377637
5-[3-(2-phenylcarbazol-9-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile
CID 140922346
3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
CID 126761593
3-(9-naphthalen-2-ylcarbazol-2-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole
CID 118508713
3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile
CID 140922299
9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
CID 139500404
3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(7,7-diphenylindeno[2,1-b]carbazol-5-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2,6-diphenylpyrimidin-4-yl)-5-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 162229599

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-naphthalen-2-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile?
The IUPAC name of 3-[3-(2-naphthalen-2-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile (CID 140922166) is 3-[3-(2-naphthalen-2-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[3-(2-naphthalen-2-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile?
The canonical SMILES for 3-[3-(2-naphthalen-2-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile is N#Cc1cccc(-c2cc(-c3cccc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(-c5ccc6ccccc6c5)cc43)c2)c1.
What is the InChIKey of 3-[3-(2-naphthalen-2-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile?
The InChIKey is PNALUYYRZFQPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3/c47-30-31-10-8-15-34(24-31)38-26-39(44-18-9-17-43(48-44)33-12-2-1-3-13-33)28-40(27-38)49-45-19-7-6-16-41(45)42-23-22-37(29-46(42)49)36-21-20-32-11-4-5-14-35(32)25-36/h1-29H.
What are the key properties of 3-[3-(2-naphthalen-2-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile?
3-[3-(2-naphthalen-2-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile has a molecular weight of 623.76 g/mol, XLogP of 11.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-naphthalen-2-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile is sourced from PubChem (CID 140922166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).