3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

C80H50N8 — CID 146544391

IUPAC3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2c(-n3c4ccc(-c5cccnc5-c5ccccc5)cc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cncc2-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c1
InChIInChI=1S/C80H50N8/c81-49-52-18-13-27-61(44-52)76-74(87-70-36-32-57(62-28-14-40-83-77(62)53-19-5-1-6-20-53)45-66(70)67-46-58(33-37-71(67)87)63-29-15-41-84-78(63)54-21-7-2-8-22-54)50-82-51-75(76)88-72-38-34-59(64-30-16-42-85-79(64)55-23-9-3-10-24-55)47-68(72)69-48-60(35-39-73(69)88)65-31-17-43-86-80(65)56-25-11-4-12-26-56/h1-48,50-51H
InChIKeyPKFUMVMAZUNFCU-UHFFFAOYSA-N
MW1123.34 g/mol
LogP19.73
Rot. Bonds11

About 3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 146544391) has the molecular formula C80H50N8 and a molecular weight of 1123.34 g/mol. Its IUPAC name is 3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID146544391
Molecular FormulaC80H50N8
Molecular Weight1123.34 g/mol
Exact Mass1122.42
IUPAC Name3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2c(-n3c4ccc(-c5cccnc5-c5ccccc5)cc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cncc2-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c1
InChIInChI=1S/C80H50N8/c81-49-52-18-13-27-61(44-52)76-74(87-70-36-32-57(62-28-14-40-83-77(62)53-19-5-1-6-20-53)45-66(70)67-46-58(33-37-71(67)87)63-29-15-41-84-78(63)54-21-7-2-8-22-54)50-82-51-75(76)88-72-38-34-59(64-30-16-42-85-79(64)55-23-9-3-10-24-55)47-68(72)69-48-60(35-39-73(69)88)65-31-17-43-86-80(65)56-25-11-4-12-26-56/h1-48,50-51H
InChIKeyPKFUMVMAZUNFCU-UHFFFAOYSA-N
XLogP19.73
TPSA98.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001123.34
LogP ≤ 519.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544200
3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377672
4-[3,5-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 165071052
3-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544351
3-[4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 146984250
3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-cyano-2-(3-cyanophenyl)phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-2-phenyl-4-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 146237901
3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544144
4-(3-cyanophenyl)-3,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 142465963
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546484
4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544365
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]carbazol-3-yl]benzonitrile
CID 166968227
3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 158607283

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 146544391) is 3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is N#Cc1cccc(-c2c(-n3c4ccc(-c5cccnc5-c5ccccc5)cc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cncc2-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c1.
What is the InChIKey of 3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is PKFUMVMAZUNFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H50N8/c81-49-52-18-13-27-61(44-52)76-74(87-70-36-32-57(62-28-14-40-83-77(62)53-19-5-1-6-20-53)45-66(70)67-46-58(33-37-71(67)87)63-29-15-41-84-78(63)54-21-7-2-8-22-54)50-82-51-75(76)88-72-38-34-59(64-30-16-42-85-79(64)55-23-9-3-10-24-55)47-68(72)69-48-60(35-39-73(69)88)65-31-17-43-86-80(65)56-25-11-4-12-26-56/h1-48,50-51H.
What are the key properties of 3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile has a molecular weight of 1123.34 g/mol, XLogP of 19.73, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146544391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).