5-[4-[7-[4-(5-cyano-3-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-3-carbonitrile

C42H25N5 — CID 118398164

IUPAC5-[4-[7-[4-(5-cyano-3-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccc(-c3ccc4c5ccc(-c6ccc(-c7cncc(C#N)c7)cc6)cc5n(-c5ccccc5)c4c3)cc2)c1
InChIInChI=1S/C42H25N5/c43-22-28-18-36(26-45-24-28)32-10-6-30(7-11-32)34-14-16-39-40-17-15-35(21-42(40)47(41(39)20-34)38-4-2-1-3-5-38)31-8-12-33(13-9-31)37-19-29(23-44)25-46-27-37/h1-21,24-27H
InChIKeySWABXJCJMPKSIA-UHFFFAOYSA-N
MW599.70 g/mol
LogP9.99
Rot. Bonds5

About 5-[4-[7-[4-(5-cyano-3-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-3-carbonitrile

5-[4-[7-[4-(5-cyano-3-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-3-carbonitrile (PubChem CID 118398164) has the molecular formula C42H25N5 and a molecular weight of 599.70 g/mol. Its IUPAC name is 5-[4-[7-[4-(5-cyano-3-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[4-[7-[4-(5-cyano-3-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-3-carbonitrile
PubChem CID118398164
Molecular FormulaC42H25N5
Molecular Weight599.70 g/mol
Exact Mass599.21
IUPAC Name5-[4-[7-[4-(5-cyano-3-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccc(-c3ccc4c5ccc(-c6ccc(-c7cncc(C#N)c7)cc6)cc5n(-c5ccccc5)c4c3)cc2)c1
InChIInChI=1S/C42H25N5/c43-22-28-18-36(26-45-24-28)32-10-6-30(7-11-32)34-14-16-39-40-17-15-35(21-42(40)47(41(39)20-34)38-4-2-1-3-5-38)31-8-12-33(13-9-31)37-19-29(23-44)25-46-27-37/h1-21,24-27H
InChIKeySWABXJCJMPKSIA-UHFFFAOYSA-N
XLogP9.99
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.70
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[7-[4-(5-cyano-3-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[4-[7-[4-(5-cyano-3-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-3-carbonitrile (CID 118398164) is 5-[4-[7-[4-(5-cyano-3-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[4-[7-[4-(5-cyano-3-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[4-[7-[4-(5-cyano-3-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-3-carbonitrile is N#Cc1cncc(-c2ccc(-c3ccc4c5ccc(-c6ccc(-c7cncc(C#N)c7)cc6)cc5n(-c5ccccc5)c4c3)cc2)c1.
What is the InChIKey of 5-[4-[7-[4-(5-cyano-3-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-3-carbonitrile?
The InChIKey is SWABXJCJMPKSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N5/c43-22-28-18-36(26-45-24-28)32-10-6-30(7-11-32)34-14-16-39-40-17-15-35(21-42(40)47(41(39)20-34)38-4-2-1-3-5-38)31-8-12-33(13-9-31)37-19-29(23-44)25-46-27-37/h1-21,24-27H.
What are the key properties of 5-[4-[7-[4-(5-cyano-3-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-3-carbonitrile?
5-[4-[7-[4-(5-cyano-3-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-3-carbonitrile has a molecular weight of 599.70 g/mol, XLogP of 9.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[7-[4-(5-cyano-3-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 118398164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).