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

C42H25N5 — CID 118398162

IUPAC4-[4-[7-[4-(2-cyano-4-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(-c3ccc4c5ccc(-c6ccc(-c7ccnc(C#N)c7)cc6)cc5n(-c5ccccc5)c4c3)cc2)ccn1
InChIInChI=1S/C42H25N5/c43-26-36-22-34(18-20-45-36)30-10-6-28(7-11-30)32-14-16-39-40-17-15-33(25-42(40)47(41(39)24-32)38-4-2-1-3-5-38)29-8-12-31(13-9-29)35-19-21-46-37(23-35)27-44/h1-25H
InChIKeyLMADUUBAACIJKM-UHFFFAOYSA-N
MW599.70 g/mol
LogP9.99
Rot. Bonds5

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

4-[4-[7-[4-(2-cyano-4-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-2-carbonitrile (PubChem CID 118398162) has the molecular formula C42H25N5 and a molecular weight of 599.70 g/mol. Its IUPAC name is 4-[4-[7-[4-(2-cyano-4-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-[7-[4-(2-cyano-4-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-2-carbonitrile
PubChem CID118398162
Molecular FormulaC42H25N5
Molecular Weight599.70 g/mol
Exact Mass599.21
IUPAC Name4-[4-[7-[4-(2-cyano-4-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(-c3ccc4c5ccc(-c6ccc(-c7ccnc(C#N)c7)cc6)cc5n(-c5ccccc5)c4c3)cc2)ccn1
InChIInChI=1S/C42H25N5/c43-26-36-22-34(18-20-45-36)30-10-6-28(7-11-30)32-14-16-39-40-17-15-33(25-42(40)47(41(39)24-32)38-4-2-1-3-5-38)29-8-12-31(13-9-29)35-19-21-46-37(23-35)27-44/h1-25H
InChIKeyLMADUUBAACIJKM-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 4-[4-[7-[4-(2-cyano-4-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-[7-[4-(2-cyano-4-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-2-carbonitrile (CID 118398162) is 4-[4-[7-[4-(2-cyano-4-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-[7-[4-(2-cyano-4-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-[7-[4-(2-cyano-4-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-2-carbonitrile is N#Cc1cc(-c2ccc(-c3ccc4c5ccc(-c6ccc(-c7ccnc(C#N)c7)cc6)cc5n(-c5ccccc5)c4c3)cc2)ccn1.
What is the InChIKey of 4-[4-[7-[4-(2-cyano-4-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-2-carbonitrile?
The InChIKey is LMADUUBAACIJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N5/c43-26-36-22-34(18-20-45-36)30-10-6-28(7-11-30)32-14-16-39-40-17-15-33(25-42(40)47(41(39)24-32)38-4-2-1-3-5-38)29-8-12-31(13-9-29)35-19-21-46-37(23-35)27-44/h1-25H.
What are the key properties of 4-[4-[7-[4-(2-cyano-4-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-2-carbonitrile?
4-[4-[7-[4-(2-cyano-4-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-2-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 4-[4-[7-[4-(2-cyano-4-pyridinyl)phenyl]-9-phenylcarbazol-2-yl]phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 118398162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).