9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile

C₄₅H₂₅N₅ — CID 155081162

About 9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile

9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile (PubChem CID 155081162) has the molecular formula C₄₅H₂₅N₅ and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile.

Molecular Properties

• Compound Name: 9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
• PubChem CID: 155081162
• Molecular Formula: C₄₅H₂₅N₅
• Molecular Weight: 635.73 g/mol
• Exact Mass: 635.21
• IUPAC Name: 9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
• SMILES: N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(C#N)c(-c3ccccc3-n3c4ccccc4c4cccc(C#N)c43)c2)c1
• InChI: InChI=1S/C45H25N5/c46-26-29-19-22-44-40(23-29)37-14-3-4-16-41(37)49(44)34-11-7-9-30(24-34)31-20-21-32(27-47)39(25-31)36-13-2-6-18-43(36)50-42-17-5-1-12-35(42)38-15-8-10-33(28-48)45(38)50/h1-25H
• InChIKey: MQRMVTPLCPTRKT-UHFFFAOYSA-N
• XLogP: 10.83
• TPSA: 81.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.73
LogP ≤ 5	10.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile?

The IUPAC name of 9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile (CID 155081162) is 9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile.

What is the SMILES notation for 9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile?

The canonical SMILES for 9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(C#N)c(-c3ccccc3-n3c4ccccc4c4cccc(C#N)c43)c2)c1.

What is the InChIKey of 9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile?

The InChIKey is MQRMVTPLCPTRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-19-22-44-40(23-29)37-14-3-4-16-41(37)49(44)34-11-7-9-30(24-34)31-20-21-32(27-47)39(25-31)36-13-2-6-18-43(36)50-42-17-5-1-12-35(42)38-15-8-10-33(28-48)45(38)50/h1-25H.

What are the key properties of 9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile?

9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile has a molecular weight of 635.73 g/mol, XLogP of 10.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile is sourced from PubChem (CID 155081162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155081162 — identifiers, structure, computed properties (public domain)

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