9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile

C51H28N6 — CID 154959004

IUPAC9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4c(-n5c6ccc(C#N)cc6c6cc(C#N)ccc65)cccc43)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C51H28N6/c52-29-32-16-22-47-42(26-32)43-27-33(30-53)17-23-48(43)57(47)50-15-7-14-49-51(50)41-10-3-6-13-46(41)55(49)37-20-18-35(19-21-37)36-24-34(31-54)25-38(28-36)56-44-11-4-1-8-39(44)40-9-2-5-12-45(40)56/h1-28H
InChIKeyFGLSNAKYQAVIKC-UHFFFAOYSA-N
MW724.83 g/mol
LogP12.26
Rot. Bonds4

About 9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile

9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile (PubChem CID 154959004) has the molecular formula C51H28N6 and a molecular weight of 724.83 g/mol. Its IUPAC name is 9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile
PubChem CID154959004
Molecular FormulaC51H28N6
Molecular Weight724.83 g/mol
Exact Mass724.24
IUPAC Name9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4c(-n5c6ccc(C#N)cc6c6cc(C#N)ccc65)cccc43)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C51H28N6/c52-29-32-16-22-47-42(26-32)43-27-33(30-53)17-23-48(43)57(47)50-15-7-14-49-51(50)41-10-3-6-13-46(41)55(49)37-20-18-35(19-21-37)36-24-34(31-54)25-38(28-36)56-44-11-4-1-8-39(44)40-9-2-5-12-45(40)56/h1-28H
InChIKeyFGLSNAKYQAVIKC-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

9-[3-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 154959007
9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 146939087
9-[9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 149264127
9-[9-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 147828212
9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958994
5-carbazol-9-yl-9-[4-(3-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958782
9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958469
9-[3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
CID 154958557
8-carbazol-9-yl-9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958991
9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081565
9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336187
9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 155081651

Frequently Asked Questions

What is the IUPAC name of 9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile (CID 154959004) is 9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile is N#Cc1cc(-c2ccc(-n3c4ccccc4c4c(-n5c6ccc(C#N)cc6c6cc(C#N)ccc65)cccc43)cc2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile?
The InChIKey is FGLSNAKYQAVIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N6/c52-29-32-16-22-47-42(26-32)43-27-33(30-53)17-23-48(43)57(47)50-15-7-14-49-51(50)41-10-3-6-13-46(41)55(49)37-20-18-35(19-21-37)36-24-34(31-54)25-38(28-36)56-44-11-4-1-8-39(44)40-9-2-5-12-45(40)56/h1-28H.
What are the key properties of 9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile?
9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile 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 9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 154959004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).