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

C80H50N8 — CID 146543869

IUPAC4-[2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-n3c4cc(-c5cccnc5-c5ccccc5)ccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)ncc2-n2c3cc(-c4cccnc4-c4ccccc4)ccc3c3ccc(-c4cccnc4-c4ccccc4)cc32)cc1
InChIInChI=1S/C80H50N8/c81-50-52-29-31-53(32-30-52)70-49-76(88-73-47-60(64-27-15-43-84-79(64)56-21-9-3-10-22-56)35-39-68(73)69-40-36-61(48-74(69)88)65-28-16-44-85-80(65)57-23-11-4-12-24-57)86-51-75(70)87-71-45-58(62-25-13-41-82-77(62)54-17-5-1-6-18-54)33-37-66(71)67-38-34-59(46-72(67)87)63-26-14-42-83-78(63)55-19-7-2-8-20-55/h1-49,51H
InChIKeyXTPHLUNBCSOIAE-UHFFFAOYSA-N
MW1123.34 g/mol
LogP19.73
Rot. Bonds11

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

4-[2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 146543869) has the molecular formula C80H50N8 and a molecular weight of 1123.34 g/mol. Its IUPAC name is 4-[2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID146543869
Molecular FormulaC80H50N8
Molecular Weight1123.34 g/mol
Exact Mass1122.42
IUPAC Name4-[2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-n3c4cc(-c5cccnc5-c5ccccc5)ccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)ncc2-n2c3cc(-c4cccnc4-c4ccccc4)ccc3c3ccc(-c4cccnc4-c4ccccc4)cc32)cc1
InChIInChI=1S/C80H50N8/c81-50-52-29-31-53(32-30-52)70-49-76(88-73-47-60(64-27-15-43-84-79(64)56-21-9-3-10-22-56)35-39-68(73)69-40-36-61(48-74(69)88)65-28-16-44-85-80(65)57-23-11-4-12-24-57)86-51-75(70)87-71-45-58(62-25-13-41-82-77(62)54-17-5-1-6-18-54)33-37-66(71)67-38-34-59(46-72(67)87)63-26-14-42-83-78(63)55-19-7-2-8-20-55/h1-49,51H
InChIKeyXTPHLUNBCSOIAE-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-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544317
2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile
CID 142452311
4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543732
4-[2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146546432
4-[2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546458
4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146543862
4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544200
2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 158854072
3,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 162610621
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-[9-[5-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile
CID 142452279
3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 159913359

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 4-[2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 146543869) is 4-[2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-[2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is N#Cc1ccc(-c2cc(-n3c4cc(-c5cccnc5-c5ccccc5)ccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)ncc2-n2c3cc(-c4cccnc4-c4ccccc4)ccc3c3ccc(-c4cccnc4-c4ccccc4)cc32)cc1.
What is the InChIKey of 4-[2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is XTPHLUNBCSOIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H50N8/c81-50-52-29-31-53(32-30-52)70-49-76(88-73-47-60(64-27-15-43-84-79(64)56-21-9-3-10-22-56)35-39-68(73)69-40-36-61(48-74(69)88)65-28-16-44-85-80(65)57-23-11-4-12-24-57)86-51-75(70)87-71-45-58(62-25-13-41-82-77(62)54-17-5-1-6-18-54)33-37-66(71)67-38-34-59(46-72(67)87)63-26-14-42-83-78(63)55-19-7-2-8-20-55/h1-49,51H.
What are the key properties of 4-[2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
4-[2,5-bis[2,7-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 4-[2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146543869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).