2-[9-[5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-3-pyridinyl]-7-(2-cyanophenyl)carbazol-2-yl]benzonitrile

C64H34N8 — CID 166057505

IUPAC2-[9-[5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-3-pyridinyl]-7-(2-cyanophenyl)carbazol-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2c(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)cncc2-n2c3cc(-c4ccccc4C#N)ccc3c3ccc(-c4ccccc4C#N)cc32)cc1
InChIInChI=1S/C64H34N8/c65-33-40-17-19-41(20-18-40)64-62(71-58-29-42(50-13-5-1-9-46(50)34-66)21-25-54(58)55-26-22-43(30-59(55)71)51-14-6-2-10-47(51)35-67)38-70-39-63(64)72-60-31-44(52-15-7-3-11-48(52)36-68)23-27-56(60)57-28-24-45(32-61(57)72)53-16-8-4-12-49(53)37-69/h1-32,38-39H
InChIKeyQJEQHUPYXGUOCX-UHFFFAOYSA-N
MW915.03 g/mol
LogP14.97
Rot. Bonds7

About 2-[9-[5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-3-pyridinyl]-7-(2-cyanophenyl)carbazol-2-yl]benzonitrile

2-[9-[5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-3-pyridinyl]-7-(2-cyanophenyl)carbazol-2-yl]benzonitrile (PubChem CID 166057505) has the molecular formula C64H34N8 and a molecular weight of 915.03 g/mol. Its IUPAC name is 2-[9-[5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-3-pyridinyl]-7-(2-cyanophenyl)carbazol-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[9-[5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-3-pyridinyl]-7-(2-cyanophenyl)carbazol-2-yl]benzonitrile
PubChem CID166057505
Molecular FormulaC64H34N8
Molecular Weight915.03 g/mol
Exact Mass914.29
IUPAC Name2-[9-[5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-3-pyridinyl]-7-(2-cyanophenyl)carbazol-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2c(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)cncc2-n2c3cc(-c4ccccc4C#N)ccc3c3ccc(-c4ccccc4C#N)cc32)cc1
InChIInChI=1S/C64H34N8/c65-33-40-17-19-41(20-18-40)64-62(71-58-29-42(50-13-5-1-9-46(50)34-66)21-25-54(58)55-26-22-43(30-59(55)71)51-14-6-2-10-47(51)35-67)38-70-39-63(64)72-60-31-44(52-15-7-3-11-48(52)36-68)23-27-56(60)57-28-24-45(32-61(57)72)53-16-8-4-12-49(53)37-69/h1-32,38-39H
InChIKeyQJEQHUPYXGUOCX-UHFFFAOYSA-N
XLogP14.97
TPSA141.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.03
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134302096
4-[3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146546476
5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile
CID 139538817
4-[3,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 142452373
2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile
CID 142452311
4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 160846267
9-[4-(2-cyanophenyl)-5-[2-(4-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazole-2-carbonitrile
CID 153486506
4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 146237957
3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 142466016
4-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[3,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 159435033
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546484
4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544200

Frequently Asked Questions

What is the IUPAC name of 2-[9-[5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-3-pyridinyl]-7-(2-cyanophenyl)carbazol-2-yl]benzonitrile?
The IUPAC name of 2-[9-[5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-3-pyridinyl]-7-(2-cyanophenyl)carbazol-2-yl]benzonitrile (CID 166057505) is 2-[9-[5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-3-pyridinyl]-7-(2-cyanophenyl)carbazol-2-yl]benzonitrile.
What is the SMILES notation for 2-[9-[5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-3-pyridinyl]-7-(2-cyanophenyl)carbazol-2-yl]benzonitrile?
The canonical SMILES for 2-[9-[5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-3-pyridinyl]-7-(2-cyanophenyl)carbazol-2-yl]benzonitrile is N#Cc1ccc(-c2c(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)cncc2-n2c3cc(-c4ccccc4C#N)ccc3c3ccc(-c4ccccc4C#N)cc32)cc1.
What is the InChIKey of 2-[9-[5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-3-pyridinyl]-7-(2-cyanophenyl)carbazol-2-yl]benzonitrile?
The InChIKey is QJEQHUPYXGUOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H34N8/c65-33-40-17-19-41(20-18-40)64-62(71-58-29-42(50-13-5-1-9-46(50)34-66)21-25-54(58)55-26-22-43(30-59(55)71)51-14-6-2-10-47(51)35-67)38-70-39-63(64)72-60-31-44(52-15-7-3-11-48(52)36-68)23-27-56(60)57-28-24-45(32-61(57)72)53-16-8-4-12-49(53)37-69/h1-32,38-39H.
What are the key properties of 2-[9-[5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-3-pyridinyl]-7-(2-cyanophenyl)carbazol-2-yl]benzonitrile?
2-[9-[5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-3-pyridinyl]-7-(2-cyanophenyl)carbazol-2-yl]benzonitrile has a molecular weight of 915.03 g/mol, XLogP of 14.97, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-3-pyridinyl]-7-(2-cyanophenyl)carbazol-2-yl]benzonitrile is sourced from PubChem (CID 166057505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).