9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile

C50H28N6 — CID 126610498

IUPAC9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1cccc(-c2cccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)c3)n2)c1
InChIInChI=1S/C50H28N6/c51-29-32-8-6-9-36(22-32)45-13-7-14-46(54-45)38-25-37(35-18-21-50-44(28-35)41-12-4-5-15-47(41)55(50)39-10-2-1-3-11-39)26-40(27-38)56-48-19-16-33(30-52)23-42(48)43-24-34(31-53)17-20-49(43)56/h1-28H
InChIKeyLRTFWNUFJSUSKM-UHFFFAOYSA-N
MW712.82 g/mol
LogP11.89
Rot. Bonds5

About 9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile

9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile (PubChem CID 126610498) has the molecular formula C50H28N6 and a molecular weight of 712.82 g/mol. Its IUPAC name is 9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile
PubChem CID126610498
Molecular FormulaC50H28N6
Molecular Weight712.82 g/mol
Exact Mass712.24
IUPAC Name9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1cccc(-c2cccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)c3)n2)c1
InChIInChI=1S/C50H28N6/c51-29-32-8-6-9-36(22-32)45-13-7-14-46(54-45)38-25-37(35-18-21-50-44(28-35)41-12-4-5-15-47(41)55(50)39-10-2-1-3-11-39)26-40(27-38)56-48-19-16-33(30-52)23-42(48)43-24-34(31-53)17-20-49(43)56/h1-28H
InChIKeyLRTFWNUFJSUSKM-UHFFFAOYSA-N
XLogP11.89
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.82
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile
CID 126610495
9-[3-[3-(3-cyanophenyl)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 126610493
3-[4,6-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]benzonitrile
CID 118259301
3-[3-(2-naphthalen-2-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile
CID 140922166
3-[2-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 90088595
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
9-[3-(4-cyanophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile;9-[3-(2-cyanophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(3-cyanophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 159419725
4-[2-[3-[9-[4-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 118259418
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 118650216
4-[2-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]benzonitrile
CID 118259269
3-[9-[3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-2-pyridinyl)phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 159521828

Frequently Asked Questions

What is the IUPAC name of 9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile (CID 126610498) is 9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile is N#Cc1cccc(-c2cccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)c3)n2)c1.
What is the InChIKey of 9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile?
The InChIKey is LRTFWNUFJSUSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N6/c51-29-32-8-6-9-36(22-32)45-13-7-14-46(54-45)38-25-37(35-18-21-50-44(28-35)41-12-4-5-15-47(41)55(50)39-10-2-1-3-11-39)26-40(27-38)56-48-19-16-33(30-52)23-42(48)43-24-34(31-53)17-20-49(43)56/h1-28H.
What are the key properties of 9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile?
9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile has a molecular weight of 712.82 g/mol, XLogP of 11.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 126610498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).