5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile

C46H27N5 — CID 118397718

IUPAC5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(-c3ccc4c5c6ccccc6c(-c6cccc(-c7cncc(C#N)c7)c6)cc5n(-c5ccccc5)c4c3)c2)c1
InChIInChI=1S/C46H27N5/c47-24-30-18-37(28-49-26-30)33-9-6-8-32(20-33)35-16-17-42-44(22-35)51(39-12-2-1-3-13-39)45-23-43(40-14-4-5-15-41(40)46(42)45)36-11-7-10-34(21-36)38-19-31(25-48)27-50-29-38/h1-23,26-29H
InChIKeyCXXWQFYRPZEJCZ-UHFFFAOYSA-N
MW649.76 g/mol
LogP11.14
Rot. Bonds5

About 5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile

5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile (PubChem CID 118397718) has the molecular formula C46H27N5 and a molecular weight of 649.76 g/mol. Its IUPAC name is 5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile
PubChem CID118397718
Molecular FormulaC46H27N5
Molecular Weight649.76 g/mol
Exact Mass649.23
IUPAC Name5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(-c3ccc4c5c6ccccc6c(-c6cccc(-c7cncc(C#N)c7)c6)cc5n(-c5ccccc5)c4c3)c2)c1
InChIInChI=1S/C46H27N5/c47-24-30-18-37(28-49-26-30)33-9-6-8-32(20-33)35-16-17-42-44(22-35)51(39-12-2-1-3-13-39)45-23-43(40-14-4-5-15-41(40)46(42)45)36-11-7-10-34(21-36)38-19-31(25-48)27-50-29-38/h1-23,26-29H
InChIKeyCXXWQFYRPZEJCZ-UHFFFAOYSA-N
XLogP11.14
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.76
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile with MolForge

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Related Compounds

5-[4-[5-[4-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[g]carbazol-9-yl]phenyl]pyridine-3-carbonitrile
CID 118397694
9-[3-(5-isocyano-3-pyridinyl)phenyl]-5,7-diphenylbenzo[c]carbazole
CID 140768957
5-[6-(7,9-diphenylcarbazol-2-yl)-2-pyridinyl]pyridine-3-carbonitrile
CID 118397427
4-(5,7-diphenylbenzo[g]carbazol-9-yl)pyridine-2-carbonitrile
CID 118397508
2-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile
CID 118397516
5-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146543091
5-[3-(6-methyl-2-pyridinyl)phenyl]-9-naphthalen-2-yl-7-phenylbenzo[c]carbazole
CID 118895360
9-[3-[2-(5-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 146542679
5-[4-[11-[4-(5-cyano-3-pyridinyl)phenyl]triphenylen-2-yl]phenyl]pyridine-3-carbonitrile
CID 126542126
5-[3,5-di(carbazol-9-yl)phenyl]pyridine-3-carbonitrile
CID 132545702
2-[5-(7-phenylbenzo[c]carbazol-5-yl)-2-pyridinyl]pyridine-4-carbonitrile
CID 118397522
7-phenyl-5,9-bis(6-pyridin-2-yl-3-pyridinyl)benzo[c]carbazole
CID 141295897

Frequently Asked Questions

What is the IUPAC name of 5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile (CID 118397718) is 5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cccc(-c3ccc4c5c6ccccc6c(-c6cccc(-c7cncc(C#N)c7)c6)cc5n(-c5ccccc5)c4c3)c2)c1.
What is the InChIKey of 5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile?
The InChIKey is CXXWQFYRPZEJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N5/c47-24-30-18-37(28-49-26-30)33-9-6-8-32(20-33)35-16-17-42-44(22-35)51(39-12-2-1-3-13-39)45-23-43(40-14-4-5-15-41(40)46(42)45)36-11-7-10-34(21-36)38-19-31(25-48)27-50-29-38/h1-23,26-29H.
What are the key properties of 5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile?
5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile has a molecular weight of 649.76 g/mol, XLogP of 11.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 118397718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).