9-[2-(4-carbazol-9-ylphenyl)-5,6-bis(3,6-dicyanocarbazol-9-yl)-4-(9-phenylcarbazol-1-yl)-3-pyridinyl]carbazole-3,6-dicarbonitrile

C83H42N12 — CID 150022138

IUPAC9-[2-(4-carbazol-9-ylphenyl)-5,6-bis(3,6-dicyanocarbazol-9-yl)-4-(9-phenylcarbazol-1-yl)-3-pyridinyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c(-c2cccc3c4ccccc4n(-c4ccccc4)c23)c1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21
InChIInChI=1S/C83H42N12/c84-43-49-21-31-72-63(37-49)64-38-50(44-85)22-32-73(64)93(72)81-78(62-17-10-16-61-60-15-6-9-20-71(60)92(80(61)62)56-11-2-1-3-12-56)82(94-74-33-23-51(45-86)39-65(74)66-40-52(46-87)24-34-75(66)94)83(95-76-35-25-53(47-88)41-67(76)68-42-54(48-89)26-36-77(68)95)90-79(81)55-27-29-57(30-28-55)91-69-18-7-4-13-58(69)59-14-5-8-19-70(59)91/h1-42H
InChIKeyDFLWPQNQSKQNDL-UHFFFAOYSA-N
MW1207.33 g/mol
LogP19.13
Rot. Bonds7

About 9-[2-(4-carbazol-9-ylphenyl)-5,6-bis(3,6-dicyanocarbazol-9-yl)-4-(9-phenylcarbazol-1-yl)-3-pyridinyl]carbazole-3,6-dicarbonitrile

9-[2-(4-carbazol-9-ylphenyl)-5,6-bis(3,6-dicyanocarbazol-9-yl)-4-(9-phenylcarbazol-1-yl)-3-pyridinyl]carbazole-3,6-dicarbonitrile (PubChem CID 150022138) has the molecular formula C83H42N12 and a molecular weight of 1207.33 g/mol. Its IUPAC name is 9-[2-(4-carbazol-9-ylphenyl)-5,6-bis(3,6-dicyanocarbazol-9-yl)-4-(9-phenylcarbazol-1-yl)-3-pyridinyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[2-(4-carbazol-9-ylphenyl)-5,6-bis(3,6-dicyanocarbazol-9-yl)-4-(9-phenylcarbazol-1-yl)-3-pyridinyl]carbazole-3,6-dicarbonitrile
PubChem CID150022138
Molecular FormulaC83H42N12
Molecular Weight1207.33 g/mol
Exact Mass1206.37
IUPAC Name9-[2-(4-carbazol-9-ylphenyl)-5,6-bis(3,6-dicyanocarbazol-9-yl)-4-(9-phenylcarbazol-1-yl)-3-pyridinyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c(-c2cccc3c4ccccc4n(-c4ccccc4)c23)c1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21
InChIInChI=1S/C83H42N12/c84-43-49-21-31-72-63(37-49)64-38-50(44-85)22-32-73(64)93(72)81-78(62-17-10-16-61-60-15-6-9-20-71(60)92(80(61)62)56-11-2-1-3-12-56)82(94-74-33-23-51(45-86)39-65(74)66-40-52(46-87)24-34-75(66)94)83(95-76-35-25-53(47-88)41-67(76)68-42-54(48-89)26-36-77(68)95)90-79(81)55-27-29-57(30-28-55)91-69-18-7-4-13-58(69)59-14-5-8-19-70(59)91/h1-42H
InChIKeyDFLWPQNQSKQNDL-UHFFFAOYSA-N
XLogP19.13
TPSA180.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001207.33
LogP ≤ 519.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[2-(4-carbazol-9-ylphenyl)-5,6-bis(3,6-dicyanocarbazol-9-yl)-4-(9-phenylcarbazol-1-yl)-3-pyridinyl]carbazole-3,6-dicarbonitrile with MolForge

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Related Compounds

6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 155369918
8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile
CID 139351890
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
9-[4-[2-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080563
8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958597
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
CID 134597965
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
8-[9-(3-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole-3-carbonitrile
CID 140759896
9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile
CID 139351852
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-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile
CID 139351913
9-[4-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079670

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-carbazol-9-ylphenyl)-5,6-bis(3,6-dicyanocarbazol-9-yl)-4-(9-phenylcarbazol-1-yl)-3-pyridinyl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[2-(4-carbazol-9-ylphenyl)-5,6-bis(3,6-dicyanocarbazol-9-yl)-4-(9-phenylcarbazol-1-yl)-3-pyridinyl]carbazole-3,6-dicarbonitrile (CID 150022138) is 9-[2-(4-carbazol-9-ylphenyl)-5,6-bis(3,6-dicyanocarbazol-9-yl)-4-(9-phenylcarbazol-1-yl)-3-pyridinyl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[2-(4-carbazol-9-ylphenyl)-5,6-bis(3,6-dicyanocarbazol-9-yl)-4-(9-phenylcarbazol-1-yl)-3-pyridinyl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[2-(4-carbazol-9-ylphenyl)-5,6-bis(3,6-dicyanocarbazol-9-yl)-4-(9-phenylcarbazol-1-yl)-3-pyridinyl]carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c(-c2cccc3c4ccccc4n(-c4ccccc4)c23)c1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21.
What is the InChIKey of 9-[2-(4-carbazol-9-ylphenyl)-5,6-bis(3,6-dicyanocarbazol-9-yl)-4-(9-phenylcarbazol-1-yl)-3-pyridinyl]carbazole-3,6-dicarbonitrile?
The InChIKey is DFLWPQNQSKQNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H42N12/c84-43-49-21-31-72-63(37-49)64-38-50(44-85)22-32-73(64)93(72)81-78(62-17-10-16-61-60-15-6-9-20-71(60)92(80(61)62)56-11-2-1-3-12-56)82(94-74-33-23-51(45-86)39-65(74)66-40-52(46-87)24-34-75(66)94)83(95-76-35-25-53(47-88)41-67(76)68-42-54(48-89)26-36-77(68)95)90-79(81)55-27-29-57(30-28-55)91-69-18-7-4-13-58(69)59-14-5-8-19-70(59)91/h1-42H.
What are the key properties of 9-[2-(4-carbazol-9-ylphenyl)-5,6-bis(3,6-dicyanocarbazol-9-yl)-4-(9-phenylcarbazol-1-yl)-3-pyridinyl]carbazole-3,6-dicarbonitrile?
9-[2-(4-carbazol-9-ylphenyl)-5,6-bis(3,6-dicyanocarbazol-9-yl)-4-(9-phenylcarbazol-1-yl)-3-pyridinyl]carbazole-3,6-dicarbonitrile has a molecular weight of 1207.33 g/mol, XLogP of 19.13, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-carbazol-9-ylphenyl)-5,6-bis(3,6-dicyanocarbazol-9-yl)-4-(9-phenylcarbazol-1-yl)-3-pyridinyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 150022138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).