9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile

C51H28N6 — CID 154958994

IUPAC9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)c2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C51H28N6/c52-29-32-20-21-49-44(26-32)42-13-4-5-15-45(42)55(49)37-24-33(30-53)22-35(27-37)36-23-34(31-54)25-38(28-36)56-46-16-6-3-12-41(46)43-14-9-19-50(51(43)56)57-47-17-7-1-10-39(47)40-11-2-8-18-48(40)57/h1-28H
InChIKeyYYYRRRIMDMHTKM-UHFFFAOYSA-N
MW724.83 g/mol
LogP12.26
Rot. Bonds4

About 9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile

9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile (PubChem CID 154958994) has the molecular formula C51H28N6 and a molecular weight of 724.83 g/mol. Its IUPAC name is 9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
PubChem CID154958994
Molecular FormulaC51H28N6
Molecular Weight724.83 g/mol
Exact Mass724.24
IUPAC Name9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)c2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C51H28N6/c52-29-32-20-21-49-44(26-32)42-13-4-5-15-45(42)55(49)37-24-33(30-53)22-35(27-37)36-23-34(31-54)25-38(28-36)56-46-16-6-3-12-41(46)43-14-9-19-50(51(43)56)57-47-17-7-1-10-39(47)40-11-2-8-18-48(40)57/h1-28H
InChIKeyYYYRRRIMDMHTKM-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-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 146939087
8-carbazol-9-yl-9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958991
5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 145345087
9-[3-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 154959007
9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile
CID 154959004
9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 155081651
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
9-[2-[3-[3-cyano-5-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155081790
9-[2-[3-[3-cyano-5-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604028
8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958597
9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079979
9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 155081033

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile (CID 154958994) is 9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile is N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)c2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1.
What is the InChIKey of 9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile?
The InChIKey is YYYRRRIMDMHTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N6/c52-29-32-20-21-49-44(26-32)42-13-4-5-15-45(42)55(49)37-24-33(30-53)22-35(27-37)36-23-34(31-54)25-38(28-36)56-46-16-6-3-12-41(46)43-14-9-19-50(51(43)56)57-47-17-7-1-10-39(47)40-11-2-8-18-48(40)57/h1-28H.
What are the key properties of 9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile?
9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-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 9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 154958994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).