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

C80H50N8 — CID 146544365

IUPAC4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2c(-n3c4ccc(-c5cccc(-c6ccccc6)n5)cc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)cncc2-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)cc1
InChIInChI=1S/C80H50N8/c81-49-52-33-35-57(36-34-52)80-78(87-74-41-37-58(70-29-13-25-66(83-70)53-17-5-1-6-18-53)45-62(74)63-46-59(38-42-75(63)87)71-30-14-26-67(84-71)54-19-7-2-8-20-54)50-82-51-79(80)88-76-43-39-60(72-31-15-27-68(85-72)55-21-9-3-10-22-55)47-64(76)65-48-61(40-44-77(65)88)73-32-16-28-69(86-73)56-23-11-4-12-24-56/h1-48,50-51H
InChIKeyLDGBNWBVYDLYFS-UHFFFAOYSA-N
MW1123.34 g/mol
LogP19.73
Rot. Bonds11

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

4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 146544365) has the molecular formula C80H50N8 and a molecular weight of 1123.34 g/mol. Its IUPAC name is 4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID146544365
Molecular FormulaC80H50N8
Molecular Weight1123.34 g/mol
Exact Mass1122.42
IUPAC Name4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2c(-n3c4ccc(-c5cccc(-c6ccccc6)n5)cc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)cncc2-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)cc1
InChIInChI=1S/C80H50N8/c81-49-52-33-35-57(36-34-52)80-78(87-74-41-37-58(70-29-13-25-66(83-70)53-17-5-1-6-18-53)45-62(74)63-46-59(38-42-75(63)87)71-30-14-26-67(84-71)54-19-7-2-8-20-54)50-82-51-79(80)88-76-43-39-60(72-31-15-27-68(85-72)55-21-9-3-10-22-55)47-64(76)65-48-61(40-44-77(65)88)73-32-16-28-69(86-73)56-23-11-4-12-24-56/h1-48,50-51H
InChIKeyLDGBNWBVYDLYFS-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

3-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544351
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546484
4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544354
2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216592
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
3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544144
4-[3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146546476
4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544200
3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 147296748
4-[9-[2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile
CID 155216775
3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544391
4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 142508821

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 146544365) is 4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is N#Cc1ccc(-c2c(-n3c4ccc(-c5cccc(-c6ccccc6)n5)cc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)cncc2-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)cc1.
What is the InChIKey of 4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is LDGBNWBVYDLYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H50N8/c81-49-52-33-35-57(36-34-52)80-78(87-74-41-37-58(70-29-13-25-66(83-70)53-17-5-1-6-18-53)45-62(74)63-46-59(38-42-75(63)87)71-30-14-26-67(84-71)54-19-7-2-8-20-54)50-82-51-79(80)88-76-43-39-60(72-31-15-27-68(85-72)55-21-9-3-10-22-55)47-64(76)65-48-61(40-44-77(65)88)73-32-16-28-69(86-73)56-23-11-4-12-24-56/h1-48,50-51H.
What are the key properties of 4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
4-[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 4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146544365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).