2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile

C66H42N6 — CID 155216707

IUPAC2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc(-n4c5c(c6ccccc64)C=CCC5)ccc32)cc(-c2cccc(-c3ccccc3)n2)cc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C66H42N6/c67-41-54-65(71-61-31-14-8-23-50(61)52-39-44(33-35-63(52)71)69-57-27-10-4-19-46(57)47-20-5-11-28-58(47)69)37-43(56-26-16-25-55(68-56)42-17-2-1-3-18-42)38-66(54)72-62-32-15-9-24-51(62)53-40-45(34-36-64(53)72)70-59-29-12-6-21-48(59)49-22-7-13-30-60(49)70/h1-12,14-29,31-40H,13,30H2
InChIKeyVEQGFYWFSXHPOH-UHFFFAOYSA-N
MW919.10 g/mol
LogP16.48
Rot. Bonds6

About 2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile

2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile (PubChem CID 155216707) has the molecular formula C66H42N6 and a molecular weight of 919.10 g/mol. Its IUPAC name is 2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
PubChem CID155216707
Molecular FormulaC66H42N6
Molecular Weight919.10 g/mol
Exact Mass918.35
IUPAC Name2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc(-n4c5c(c6ccccc64)C=CCC5)ccc32)cc(-c2cccc(-c3ccccc3)n2)cc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C66H42N6/c67-41-54-65(71-61-31-14-8-23-50(61)52-39-44(33-35-63(52)71)69-57-27-10-4-19-46(57)47-20-5-11-28-58(47)69)37-43(56-26-16-25-55(68-56)42-17-2-1-3-18-42)38-66(54)72-62-32-15-9-24-51(62)53-40-45(34-36-64(53)72)70-59-29-12-6-21-48(59)49-22-7-13-30-60(49)70/h1-12,14-29,31-40H,13,30H2
InChIKeyVEQGFYWFSXHPOH-UHFFFAOYSA-N
XLogP16.48
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.10
LogP ≤ 516.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 71013433
2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216720
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 149205020
14-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 170123117
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
CID 89110822
3-carbazol-9-yl-6-(1,2-dihydrocarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 168748082
4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 155216444
2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216592
9-[5-cyano-2-[3-cyano-5-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 167280770
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole
CID 88673510
9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole
CID 166931652

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile?
The IUPAC name of 2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile (CID 155216707) is 2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile.
What is the SMILES notation for 2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile?
The canonical SMILES for 2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile is N#Cc1c(-n2c3ccccc3c3cc(-n4c5c(c6ccccc64)C=CCC5)ccc32)cc(-c2cccc(-c3ccccc3)n2)cc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile?
The InChIKey is VEQGFYWFSXHPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N6/c67-41-54-65(71-61-31-14-8-23-50(61)52-39-44(33-35-63(52)71)69-57-27-10-4-19-46(57)47-20-5-11-28-58(47)69)37-43(56-26-16-25-55(68-56)42-17-2-1-3-18-42)38-66(54)72-62-32-15-9-24-51(62)53-40-45(34-36-64(53)72)70-59-29-12-6-21-48(59)49-22-7-13-30-60(49)70/h1-12,14-29,31-40H,13,30H2.
What are the key properties of 2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile?
2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile has a molecular weight of 919.10 g/mol, XLogP of 16.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile is sourced from PubChem (CID 155216707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).