5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,4-bis(trifluoromethyl)phenyl]-5-cyano-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile

C120H58F12N20 — CID 134473348

About 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,4-bis(trifluoromethyl)phenyl]-5-cyano-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile

5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,4-bis(trifluoromethyl)phenyl]-5-cyano-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile (PubChem CID 134473348) has the molecular formula C120H58F12N20 and a molecular weight of 2007.90 g/mol. Its IUPAC name is 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,4-bis(trifluoromethyl)phenyl]-5-cyano-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,4-bis(trifluoromethyl)phenyl]-5-cyano-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile
• PubChem CID: 134473348
• Molecular Formula: C120H58F12N20
• Molecular Weight: 2007.90 g/mol
• Exact Mass: 2006.50
• IUPAC Name: 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,4-bis(trifluoromethyl)phenyl]-5-cyano-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile
• SMILES: Cc1nc(C)nc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)c(C#N)cc4-n4c5ccccc5c5ccc(-c6nc(C)nc(Cc7c(C#N)cc(C#N)cc7-c7ccc8c(c7)c7cc(-c9cc(C#N)cc(C#N)c9)ccc7n8-c7cc(-c8ccc(C(F)(F)F)cc8C(F)(F)F)c(C#N)cc7-n7c8ccc(-c9cc(C#N)cc(C#N)c9)cc8c8cc(-c9cc(C#N)cc(C#N)c9)ccc87)n6)cc54)c3c2)n1
• InChI: InChI=1S/C120H58F12N20/c1-62-143-63(2)146-115(145-62)76-12-20-91-89-9-5-7-11-103(89)152(109(91)43-76)113-50-94(87-23-19-85(118(124,125)126)48-101(87)120(130,131)132)83(61-142)46-111(113)151-102-10-6-4-8-88(102)90-21-13-77(44-108(90)151)116-147-64(3)144-114(148-116)51-95-81(59-140)37-71(58-139)38-92(95)75-17-27-107-99(42-75)98-41-74(80-35-69(56-137)30-70(36-80)57-138)16-26-106(98)150(107)112-49-93(86-22-18-84(117(121,122)123)47-100(86)119(127,128)129)82(60-141)45-110(112)149-104-24-14-72(78-31-65(52-133)28-66(32-78)53-134)39-96(104)97-40-73(15-25-105(97)149)79-33-67(54-135)29-68(34-79)55-136/h4-50H,51H2,1-3H3
• InChIKey: MXSHUSRSODMANN-UHFFFAOYSA-N
• XLogP: 29.09
• TPSA: 334.96 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2007.90
LogP ≤ 5	29.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,4-bis(trifluoromethyl)phenyl]-5-cyano-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile?

The IUPAC name of 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,4-bis(trifluoromethyl)phenyl]-5-cyano-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile (CID 134473348) is 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,4-bis(trifluoromethyl)phenyl]-5-cyano-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile.

What is the SMILES notation for 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,4-bis(trifluoromethyl)phenyl]-5-cyano-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile?

The canonical SMILES for 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,4-bis(trifluoromethyl)phenyl]-5-cyano-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile is Cc1nc(C)nc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)c(C#N)cc4-n4c5ccccc5c5ccc(-c6nc(C)nc(Cc7c(C#N)cc(C#N)cc7-c7ccc8c(c7)c7cc(-c9cc(C#N)cc(C#N)c9)ccc7n8-c7cc(-c8ccc(C(F)(F)F)cc8C(F)(F)F)c(C#N)cc7-n7c8ccc(-c9cc(C#N)cc(C#N)c9)cc8c8cc(-c9cc(C#N)cc(C#N)c9)ccc87)n6)cc54)c3c2)n1.

What is the InChIKey of 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,4-bis(trifluoromethyl)phenyl]-5-cyano-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile?

The InChIKey is MXSHUSRSODMANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H58F12N20/c1-62-143-63(2)146-115(145-62)76-12-20-91-89-9-5-7-11-103(89)152(109(91)43-76)113-50-94(87-23-19-85(118(124,125)126)48-101(87)120(130,131)132)83(61-142)46-111(113)151-102-10-6-4-8-88(102)90-21-13-77(44-108(90)151)116-147-64(3)144-114(148-116)51-95-81(59-140)37-71(58-139)38-92(95)75-17-27-107-99(42-75)98-41-74(80-35-69(56-137)30-70(36-80)57-138)16-26-106(98)150(107)112-49-93(86-22-18-84(117(121,122)123)47-100(86)119(127,128)129)82(60-141)45-110(112)149-104-24-14-72(78-31-65(52-133)28-66(32-78)53-134)39-96(104)97-40-73(15-25-105(97)149)79-33-67(54-135)29-68(34-79)55-136/h4-50H,51H2,1-3H3.

What are the key properties of 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,4-bis(trifluoromethyl)phenyl]-5-cyano-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile?

5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,4-bis(trifluoromethyl)phenyl]-5-cyano-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile has a molecular weight of 2007.90 g/mol, XLogP of 29.09, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,4-bis(trifluoromethyl)phenyl]-5-cyano-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 134473348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).