8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile

C51H28N6 — CID 154958974

IUPAC8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4cc(C#N)ccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cc2)cc1C#N
InChIInChI=1S/C51H28N6/c52-29-32-17-24-48-43(26-32)40-10-3-6-14-47(40)56(48)44-25-20-35(28-36(44)31-54)34-18-21-37(22-19-34)55-50-27-33(30-53)16-23-41(50)42-11-7-15-49(51(42)55)57-45-12-4-1-8-38(45)39-9-2-5-13-46(39)57/h1-28H
InChIKeyLBPDDLJGSGHLFJ-UHFFFAOYSA-N
MW724.83 g/mol
LogP12.26
Rot. Bonds4

About 8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile

8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile (PubChem CID 154958974) has the molecular formula C51H28N6 and a molecular weight of 724.83 g/mol. Its IUPAC name is 8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile.

Molecular Properties

Compound Name8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile
PubChem CID154958974
Molecular FormulaC51H28N6
Molecular Weight724.83 g/mol
Exact Mass724.24
IUPAC Name8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4cc(C#N)ccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cc2)cc1C#N
InChIInChI=1S/C51H28N6/c52-29-32-17-24-48-43(26-32)40-10-3-6-14-47(40)56(48)44-25-20-35(28-36(44)31-54)34-18-21-37(22-19-34)55-50-27-33(30-53)16-23-41(50)42-11-7-15-49(51(42)55)57-45-12-4-1-8-38(45)39-9-2-5-13-46(39)57/h1-28H
InChIKeyLBPDDLJGSGHLFJ-UHFFFAOYSA-N
XLogP12.26
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.83
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958159
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 148765644
9-[9-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]carbazol-3-yl]carbazole-2-carbonitrile
CID 154958176
6-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 149191639
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155081617
9-[2-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile
CID 152884793
9-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081587
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155081620
9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 146939087
8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958597
9-[2-[2-cyano-5-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080988
9-[4-[4-cyano-3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080950

Frequently Asked Questions

What is the IUPAC name of 8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile?
The IUPAC name of 8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile (CID 154958974) is 8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile.
What is the SMILES notation for 8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile?
The canonical SMILES for 8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4cc(C#N)ccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cc2)cc1C#N.
What is the InChIKey of 8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile?
The InChIKey is LBPDDLJGSGHLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N6/c52-29-32-17-24-48-43(26-32)40-10-3-6-14-47(40)56(48)44-25-20-35(28-36(44)31-54)34-18-21-37(22-19-34)55-50-27-33(30-53)16-23-41(50)42-11-7-15-49(51(42)55)57-45-12-4-1-8-38(45)39-9-2-5-13-46(39)57/h1-28H.
What are the key properties of 8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile?
8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile has a molecular weight of 724.83 g/mol, XLogP of 12.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile is sourced from PubChem (CID 154958974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).