4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[4-[3-cyano-4-[9-[5-cyano-2-[3-(2-cyanophenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]phenyl]-2-(trifluoromethyl)phenyl]benzonitrile

C106H52F18N8 — CID 137386518

About 4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[4-[3-cyano-4-[9-[5-cyano-2-[3-(2-cyanophenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]phenyl]-2-(trifluoromethyl)phenyl]benzonitrile

4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[4-[3-cyano-4-[9-[5-cyano-2-[3-(2-cyanophenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]phenyl]-2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137386518) has the molecular formula C106H52F18N8 and a molecular weight of 1779.60 g/mol. Its IUPAC name is 4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[4-[3-cyano-4-[9-[5-cyano-2-[3-(2-cyanophenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]phenyl]-2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

• Compound Name: 4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[4-[3-cyano-4-[9-[5-cyano-2-[3-(2-cyanophenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]phenyl]-2-(trifluoromethyl)phenyl]benzonitrile
• PubChem CID: 137386518
• Molecular Formula: C106H52F18N8
• Molecular Weight: 1779.60 g/mol
• Exact Mass: 1778.40
• IUPAC Name: 4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[4-[3-cyano-4-[9-[5-cyano-2-[3-(2-cyanophenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]phenyl]-2-(trifluoromethyl)phenyl]benzonitrile
• SMILES: N#Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2C(F)(F)F)c(C#N)cc1-n1c2ccccc2c2cc(-c3ccc(-c4ccc(-c5cc(-n6c7ccccc7c7cc(-c8cc(C(F)(F)F)cc(C(F)(F)F)c8)ccc76)c(-n6c7ccccc7c7cc(-c8cc(C(F)(F)F)cc(C(F)(F)F)c8)ccc76)cc5C#N)c(C(F)(F)F)c4)cc3C#N)ccc21
• InChI: InChI=1S/C106H52F18N8/c107-101(108,109)69-38-64(39-70(49-69)102(110,111)112)58-27-33-93-83(42-58)77-16-4-9-21-89(77)129(93)98-48-68(56-128)82(52-100(98)131-91-23-11-5-17-78(91)84-43-59(28-34-94(84)131)65-40-71(103(113,114)115)50-72(41-65)104(116,117)118)76-32-26-60(46-88(76)106(122,123)124)57-25-31-74(66(37-57)54-126)62-30-36-95-86(45-62)79-18-6-10-22-90(79)130(95)97-47-67(55-127)81(75-15-3-8-20-87(75)105(119,120)121)51-99(97)132-92-24-12-7-19-80(92)85-44-61(29-35-96(85)132)73-14-2-1-13-63(73)53-125/h1-52H
• InChIKey: VSNMLAVAXANFCY-UHFFFAOYSA-N
• XLogP: 31.34
• TPSA: 114.88 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1779.60
LogP ≤ 5	31.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[4-[3-cyano-4-[9-[5-cyano-2-[3-(2-cyanophenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]phenyl]-2-(trifluoromethyl)phenyl]benzonitrile?

The IUPAC name of 4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[4-[3-cyano-4-[9-[5-cyano-2-[3-(2-cyanophenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]phenyl]-2-(trifluoromethyl)phenyl]benzonitrile (CID 137386518) is 4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[4-[3-cyano-4-[9-[5-cyano-2-[3-(2-cyanophenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]phenyl]-2-(trifluoromethyl)phenyl]benzonitrile.

What is the SMILES notation for 4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[4-[3-cyano-4-[9-[5-cyano-2-[3-(2-cyanophenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]phenyl]-2-(trifluoromethyl)phenyl]benzonitrile?

The canonical SMILES for 4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[4-[3-cyano-4-[9-[5-cyano-2-[3-(2-cyanophenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]phenyl]-2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2C(F)(F)F)c(C#N)cc1-n1c2ccccc2c2cc(-c3ccc(-c4ccc(-c5cc(-n6c7ccccc7c7cc(-c8cc(C(F)(F)F)cc(C(F)(F)F)c8)ccc76)c(-n6c7ccccc7c7cc(-c8cc(C(F)(F)F)cc(C(F)(F)F)c8)ccc76)cc5C#N)c(C(F)(F)F)c4)cc3C#N)ccc21.

What is the InChIKey of 4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[4-[3-cyano-4-[9-[5-cyano-2-[3-(2-cyanophenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]phenyl]-2-(trifluoromethyl)phenyl]benzonitrile?

The InChIKey is VSNMLAVAXANFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H52F18N8/c107-101(108,109)69-38-64(39-70(49-69)102(110,111)112)58-27-33-93-83(42-58)77-16-4-9-21-89(77)129(93)98-48-68(56-128)82(52-100(98)131-91-23-11-5-17-78(91)84-43-59(28-34-94(84)131)65-40-71(103(113,114)115)50-72(41-65)104(116,117)118)76-32-26-60(46-88(76)106(122,123)124)57-25-31-74(66(37-57)54-126)62-30-36-95-86(45-62)79-18-6-10-22-90(79)130(95)97-47-67(55-127)81(75-15-3-8-20-87(75)105(119,120)121)51-99(97)132-92-24-12-7-19-80(92)85-44-61(29-35-96(85)132)73-14-2-1-13-63(73)53-125/h1-52H.

What are the key properties of 4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[4-[3-cyano-4-[9-[5-cyano-2-[3-(2-cyanophenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]phenyl]-2-(trifluoromethyl)phenyl]benzonitrile?

4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[4-[3-cyano-4-[9-[5-cyano-2-[3-(2-cyanophenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]phenyl]-2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 1779.60 g/mol, XLogP of 31.34, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[4-[3-cyano-4-[9-[5-cyano-2-[3-(2-cyanophenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]phenyl]-2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137386518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).