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

C80H50N8 — CID 146544351

IUPAC3-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2c(-n3c4ccc(-c5cccc(-c6ccccc6)n5)cc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)cncc2-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c1
InChIInChI=1S/C80H50N8/c81-49-52-18-13-27-61(44-52)80-78(87-74-40-36-57(70-32-14-28-66(83-70)53-19-5-1-6-20-53)45-62(74)63-46-58(37-41-75(63)87)71-33-15-29-67(84-71)54-21-7-2-8-22-54)50-82-51-79(80)88-76-42-38-59(72-34-16-30-68(85-72)55-23-9-3-10-24-55)47-64(76)65-48-60(39-43-77(65)88)73-35-17-31-69(86-73)56-25-11-4-12-26-56/h1-48,50-51H
InChIKeyKUEQKWFCMJKXCV-UHFFFAOYSA-N
MW1123.34 g/mol
LogP19.73
Rot. Bonds11

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

3-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 146544351) 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(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID146544351
Molecular FormulaC80H50N8
Molecular Weight1123.34 g/mol
Exact Mass1122.42
IUPAC Name3-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2c(-n3c4ccc(-c5cccc(-c6ccccc6)n5)cc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)cncc2-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c1
InChIInChI=1S/C80H50N8/c81-49-52-18-13-27-61(44-52)80-78(87-74-40-36-57(70-32-14-28-66(83-70)53-19-5-1-6-20-53)45-62(74)63-46-58(37-41-75(63)87)71-33-15-29-67(84-71)54-21-7-2-8-22-54)50-82-51-79(80)88-76-42-38-59(72-34-16-30-68(85-72)55-23-9-3-10-24-55)47-64(76)65-48-60(39-43-77(65)88)73-35-17-31-69(86-73)56-25-11-4-12-26-56/h1-48,50-51H
InChIKeyKUEQKWFCMJKXCV-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[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544365
3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544144
3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544391
3-[2,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544320
3,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377908
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546484
3-[4,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 142465766
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
3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 142465868
2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216592
2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377637
3-[3,5-bis(4,5-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 159122987

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 3-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 146544351) is 3-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 3-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is N#Cc1cccc(-c2c(-n3c4ccc(-c5cccc(-c6ccccc6)n5)cc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)cncc2-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c1.
What is the InChIKey of 3-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is KUEQKWFCMJKXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H50N8/c81-49-52-18-13-27-61(44-52)80-78(87-74-40-36-57(70-32-14-28-66(83-70)53-19-5-1-6-20-53)45-62(74)63-46-58(37-41-75(63)87)71-33-15-29-67(84-71)54-21-7-2-8-22-54)50-82-51-79(80)88-76-42-38-59(72-34-16-30-68(85-72)55-23-9-3-10-24-55)47-64(76)65-48-60(39-43-77(65)88)73-35-17-31-69(86-73)56-25-11-4-12-26-56/h1-48,50-51H.
What are the key properties of 3-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
3-[3,5-bis[3,6-bis(6-phenyl-2-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(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146544351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).