3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile

C100H58F6N6 — CID 146892582

IUPAC3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c(-n3c4ccccc4c4cc(-c5cc6c(cc5-c5ccccc5)c5ccccc5n6-c5cc(C(F)(F)F)c(-c6cccc(C#N)c6)cc5-n5c6ccccc6c6cc(-c7ccccc7)ccc65)c(-c5ccccc5)cc43)cc2C(F)(F)F)c1
InChIInChI=1S/C100H58F6N6/c101-99(102,103)85-57-97(95(54-78(85)69-33-21-23-61(47-69)59-107)109-88-40-18-14-36-72(88)82-49-67(44-46-91(82)109)63-25-5-1-6-26-63)112-89-41-19-15-37-73(89)83-51-76(65-29-9-3-10-30-65)81(56-94(83)112)80-52-84-74-38-16-20-42-90(74)111(93(84)53-77(80)66-31-11-4-12-32-66)98-58-86(100(104,105)106)79(70-34-22-24-62(48-70)60-108)55-96(98)110-87-39-17-13-35-71(87)75-45-43-68(50-92(75)110)64-27-7-2-8-28-64/h1-58H
InChIKeyTULQMXOVDAIXJJ-UHFFFAOYSA-N
MW1457.59 g/mol
LogP27.52
Rot. Bonds11

About 3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile

3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 146892582) has the molecular formula C100H58F6N6 and a molecular weight of 1457.59 g/mol. Its IUPAC name is 3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID146892582
Molecular FormulaC100H58F6N6
Molecular Weight1457.59 g/mol
Exact Mass1456.46
IUPAC Name3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c(-n3c4ccccc4c4cc(-c5cc6c(cc5-c5ccccc5)c5ccccc5n6-c5cc(C(F)(F)F)c(-c6cccc(C#N)c6)cc5-n5c6ccccc6c6cc(-c7ccccc7)ccc65)c(-c5ccccc5)cc43)cc2C(F)(F)F)c1
InChIInChI=1S/C100H58F6N6/c101-99(102,103)85-57-97(95(54-78(85)69-33-21-23-61(47-69)59-107)109-88-40-18-14-36-72(88)82-49-67(44-46-91(82)109)63-25-5-1-6-26-63)112-89-41-19-15-37-73(89)83-51-76(65-29-9-3-10-30-65)81(56-94(83)112)80-52-84-74-38-16-20-42-90(74)111(93(84)53-77(80)66-31-11-4-12-32-66)98-58-86(100(104,105)106)79(70-34-22-24-62(48-70)60-108)55-96(98)110-87-39-17-13-35-71(87)75-45-43-68(50-92(75)110)64-27-7-2-8-28-64/h1-58H
InChIKeyTULQMXOVDAIXJJ-UHFFFAOYSA-N
XLogP27.52
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001457.59
LogP ≤ 527.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile with MolForge

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Related Compounds

5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 146237934
5-[9-[5-(3-cyanophenyl)-2-[2-(3,5-dicyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 146238206
5-[9-[5-(3-cyanophenyl)-2-[3-(3,5-dicyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146238202
3-[2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 142465777
3-[4,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 142465766
3-[4,5-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 155377610
3-[4,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile
CID 142465982
3-[4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 146984250
3-[4,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 155377888
2-[9-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 155377871
3-[4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 146237978
2-(3-cyanophenyl)-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 155377559

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile (CID 146892582) is 3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c(-n3c4ccccc4c4cc(-c5cc6c(cc5-c5ccccc5)c5ccccc5n6-c5cc(C(F)(F)F)c(-c6cccc(C#N)c6)cc5-n5c6ccccc6c6cc(-c7ccccc7)ccc65)c(-c5ccccc5)cc43)cc2C(F)(F)F)c1.
What is the InChIKey of 3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is TULQMXOVDAIXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H58F6N6/c101-99(102,103)85-57-97(95(54-78(85)69-33-21-23-61(47-69)59-107)109-88-40-18-14-36-72(88)82-49-67(44-46-91(82)109)63-25-5-1-6-26-63)112-89-41-19-15-37-73(89)83-51-76(65-29-9-3-10-30-65)81(56-94(83)112)80-52-84-74-38-16-20-42-90(74)111(93(84)53-77(80)66-31-11-4-12-32-66)98-58-86(100(104,105)106)79(70-34-22-24-62(48-70)60-108)55-96(98)110-87-39-17-13-35-71(87)75-45-43-68(50-92(75)110)64-27-7-2-8-28-64/h1-58H.
What are the key properties of 3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile?
3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 1457.59 g/mol, XLogP of 27.52, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 146892582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).