2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile

C82H50N8 — CID 142465932

IUPAC2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(C#N)cc2-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c1
InChIInChI=1S/C82H50N8/c83-47-53-14-13-23-62(40-53)72-46-77(89-78-41-58(63-28-36-73(85-49-63)54-15-5-1-6-16-54)24-32-68(78)69-33-25-59(42-79(69)89)64-29-37-74(86-50-64)55-17-7-2-8-18-55)67(48-84)45-82(72)90-80-43-60(65-30-38-75(87-51-65)56-19-9-3-10-20-56)26-34-70(80)71-35-27-61(44-81(71)90)66-31-39-76(88-52-66)57-21-11-4-12-22-57/h1-46,49-52H
InChIKeyHXWLWZUWHPCRLG-UHFFFAOYSA-N
MW1147.36 g/mol
LogP20.21
Rot. Bonds11

About 2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile

2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile (PubChem CID 142465932) has the molecular formula C82H50N8 and a molecular weight of 1147.36 g/mol. Its IUPAC name is 2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile.

Molecular Properties

Compound Name2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
PubChem CID142465932
Molecular FormulaC82H50N8
Molecular Weight1147.36 g/mol
Exact Mass1146.42
IUPAC Name2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(C#N)cc2-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c1
InChIInChI=1S/C82H50N8/c83-47-53-14-13-23-62(40-53)72-46-77(89-78-41-58(63-28-36-73(85-49-63)54-15-5-1-6-16-54)24-32-68(78)69-33-25-59(42-79(69)89)64-29-37-74(86-50-64)55-17-7-2-8-18-55)67(48-84)45-82(72)90-80-43-60(65-30-38-75(87-51-65)56-19-9-3-10-20-56)26-34-70(80)71-35-27-61(44-81(71)90)66-31-39-76(88-52-66)57-21-11-4-12-22-57/h1-46,49-52H
InChIKeyHXWLWZUWHPCRLG-UHFFFAOYSA-N
XLogP20.21
TPSA109.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.36
LogP ≤ 520.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
CID 155377806
4-[2,6-bis(trifluoromethyl)phenyl]-2,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 137392575
4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155427516
4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544317
4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)benzonitrile;3-[4-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-isocyano-5-[3-(5-phenyl-2-pyridinyl)-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]benzonitrile;2-(3-cyanophenyl)-4,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 159083792
3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544144
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
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 155377727
4-(3-cyanophenyl)-2,5-bis[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 155646695
3-[7-(3-cyanophenyl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137421194
3-[7-(3-cyanophenyl)-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137421475
3-[7-(3-cyanophenyl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137420936

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile?
The IUPAC name of 2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile (CID 142465932) is 2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile.
What is the SMILES notation for 2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile?
The canonical SMILES for 2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile is N#Cc1cccc(-c2cc(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(C#N)cc2-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c1.
What is the InChIKey of 2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile?
The InChIKey is HXWLWZUWHPCRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50N8/c83-47-53-14-13-23-62(40-53)72-46-77(89-78-41-58(63-28-36-73(85-49-63)54-15-5-1-6-16-54)24-32-68(78)69-33-25-59(42-79(69)89)64-29-37-74(86-50-64)55-17-7-2-8-18-55)67(48-84)45-82(72)90-80-43-60(65-30-38-75(87-51-65)56-19-9-3-10-20-56)26-34-70(80)71-35-27-61(44-81(71)90)66-31-39-76(88-52-66)57-21-11-4-12-22-57/h1-46,49-52H.
What are the key properties of 2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile?
2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile has a molecular weight of 1147.36 g/mol, XLogP of 20.21, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile is sourced from PubChem (CID 142465932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).