2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile

C66H42N4 — CID 155216709

IUPAC2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile
SMILESN#Cc1c(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)cc(-c2cccc(-c3ccccc3)n2)cc1-n1c2cc(-c3ccccc3)ccc2c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C66H42N4/c67-43-58-65(69-61-37-49(44-17-6-1-7-18-44)29-33-54(61)55-34-30-50(38-62(55)69)45-19-8-2-9-20-45)41-53(60-28-16-27-59(68-60)48-25-14-5-15-26-48)42-66(58)70-63-39-51(46-21-10-3-11-22-46)31-35-56(63)57-36-32-52(40-64(57)70)47-23-12-4-13-24-47/h1-42H
InChIKeyNQEMMZQEOGVKCQ-UHFFFAOYSA-N
MW891.09 g/mol
LogP17.15
Rot. Bonds8

About 2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile

2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile (PubChem CID 155216709) has the molecular formula C66H42N4 and a molecular weight of 891.09 g/mol. Its IUPAC name is 2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile
PubChem CID155216709
Molecular FormulaC66H42N4
Molecular Weight891.09 g/mol
Exact Mass890.34
IUPAC Name2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile
SMILESN#Cc1c(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)cc(-c2cccc(-c3ccccc3)n2)cc1-n1c2cc(-c3ccccc3)ccc2c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C66H42N4/c67-43-58-65(69-61-37-49(44-17-6-1-7-18-44)29-33-54(61)55-34-30-50(38-62(55)69)45-19-8-2-9-20-45)41-53(60-28-16-27-59(68-60)48-25-14-5-15-26-48)42-66(58)70-63-39-51(46-21-10-3-11-22-46)31-35-56(63)57-36-32-52(40-64(57)70)47-23-12-4-13-24-47/h1-42H
InChIKeyNQEMMZQEOGVKCQ-UHFFFAOYSA-N
XLogP17.15
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.09
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377637
2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216592
2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216720
2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-isocyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155654169
4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216774
4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 155216444
2-[3-carbazol-9-yl-6-[4-[9-[2-cyano-5-(2,6-dimethyl-4-pyridinyl)-3-(2-phenylcarbazol-9-yl)phenyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile
CID 134302072
2,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)benzonitrile
CID 154959693
4-(2,6-dimethylpyrimidin-4-yl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 139419917
4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile
CID 147225252
5-[6-(7,9-diphenylcarbazol-2-yl)-2-pyridinyl]pyridine-3-carbonitrile
CID 118397427
5-[9-[2-cyano-5-(3-cyanophenyl)-3-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142465799

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile?
The IUPAC name of 2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile (CID 155216709) is 2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile.
What is the SMILES notation for 2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile?
The canonical SMILES for 2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile is N#Cc1c(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)cc(-c2cccc(-c3ccccc3)n2)cc1-n1c2cc(-c3ccccc3)ccc2c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile?
The InChIKey is NQEMMZQEOGVKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N4/c67-43-58-65(69-61-37-49(44-17-6-1-7-18-44)29-33-54(61)55-34-30-50(38-62(55)69)45-19-8-2-9-20-45)41-53(60-28-16-27-59(68-60)48-25-14-5-15-26-48)42-66(58)70-63-39-51(46-21-10-3-11-22-46)31-35-56(63)57-36-32-52(40-64(57)70)47-23-12-4-13-24-47/h1-42H.
What are the key properties of 2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile?
2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile has a molecular weight of 891.09 g/mol, XLogP of 17.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile is sourced from PubChem (CID 155216709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).