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

C169H87F9N32 — CID 137386935

About 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]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]-4-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile (PubChem CID 137386935) has the molecular formula C169H87F9N32 and a molecular weight of 2736.76 g/mol. Its IUPAC name is 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]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]-4-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile
• PubChem CID: 137386935
• Molecular Formula: C169H87F9N32
• Molecular Weight: 2736.76 g/mol
• Exact Mass: 2734.76
• IUPAC Name: 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile
• SMILES: Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(C#N)cc(C(F)(F)F)c3)c(C#N)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4cc(-c5nc(C)nc(C)n5)cc5c4c4ccccc4n5-c4cc(-c5cc(C#N)cc(C(F)(F)F)c5)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(-c8cc(C#N)cc(C(F)(F)F)c8)c(C#N)cc7-n7c8ccc(-c9cc(C#N)cc(C#N)c9)cc8c8cc(-c9cc(C#N)cc(C#N)c9)ccc87)n6)cc54)ccc32)n1
• InChI: InChI=1S/C169H87F9N32/c1-87-193-88(2)198-163(197-87)109-26-34-146-136(61-109)127-15-9-12-18-144(127)205(146)157-69-130(115-45-100(79-185)49-123(53-115)167(170,171)172)120(84-190)66-154(157)207-150-33-25-108(60-141(150)142-62-110(27-35-152(142)207)164-199-89(3)194-90(4)200-164)135-63-118(166-201-91(5)195-92(6)202-166)65-160-162(135)129-16-10-13-19-145(129)210(160)159-71-132(117-47-102(81-187)51-125(55-117)169(176,177)178)122(86-192)68-156(159)209-143-17-11-8-14-126(143)128-28-20-111(64-153(128)209)165-203-93(7)196-161(204-165)72-134-119(83-189)48-103(82-188)52-133(134)107-24-32-151-140(59-107)139-58-106(114-43-98(77-183)38-99(44-114)78-184)23-31-149(139)208(151)158-70-131(116-46-101(80-186)50-124(54-116)168(173,174)175)121(85-191)67-155(158)206-147-29-21-104(112-39-94(73-179)36-95(40-112)74-180)56-137(147)138-57-105(22-30-148(138)206)113-41-96(75-181)37-97(42-113)76-182/h8-71H,72H2,1-7H3
• InChIKey: GCNODRLYTHBAQX-UHFFFAOYSA-N
• XLogP: 38.02
• TPSA: 517.32 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2736.76
LogP ≤ 5	38.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]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]-4-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile (CID 137386935) is 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]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]-4-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]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]-4-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile is Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(C#N)cc(C(F)(F)F)c3)c(C#N)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4cc(-c5nc(C)nc(C)n5)cc5c4c4ccccc4n5-c4cc(-c5cc(C#N)cc(C(F)(F)F)c5)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(-c8cc(C#N)cc(C(F)(F)F)c8)c(C#N)cc7-n7c8ccc(-c9cc(C#N)cc(C#N)c9)cc8c8cc(-c9cc(C#N)cc(C#N)c9)ccc87)n6)cc54)ccc32)n1.

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

The InChIKey is GCNODRLYTHBAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C169H87F9N32/c1-87-193-88(2)198-163(197-87)109-26-34-146-136(61-109)127-15-9-12-18-144(127)205(146)157-69-130(115-45-100(79-185)49-123(53-115)167(170,171)172)120(84-190)66-154(157)207-150-33-25-108(60-141(150)142-62-110(27-35-152(142)207)164-199-89(3)194-90(4)200-164)135-63-118(166-201-91(5)195-92(6)202-166)65-160-162(135)129-16-10-13-19-145(129)210(160)159-71-132(117-47-102(81-187)51-125(55-117)169(176,177)178)122(86-192)68-156(159)209-143-17-11-8-14-126(143)128-28-20-111(64-153(128)209)165-203-93(7)196-161(204-165)72-134-119(83-189)48-103(82-188)52-133(134)107-24-32-151-140(59-107)139-58-106(114-43-98(77-183)38-99(44-114)78-184)23-31-149(139)208(151)158-70-131(116-46-101(80-186)50-124(54-116)168(173,174)175)121(85-191)67-155(158)206-147-29-21-104(112-39-94(73-179)36-95(40-112)74-180)56-137(147)138-57-105(22-30-148(138)206)113-41-96(75-181)37-97(42-113)76-182/h8-71H,72H2,1-7H3.

What are the key properties of 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]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]-4-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile has a molecular weight of 2736.76 g/mol, XLogP of 38.02, 20 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 137386935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).