5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyano-5-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[2-cyano-6-(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)-7,8-dihydrocarbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile

C169H89F9N32 — CID 137381576

About 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyano-5-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[2-cyano-6-(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)-7,8-dihydrocarbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(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-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[2-cyano-6-(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)-7,8-dihydrocarbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile (PubChem CID 137381576) has the molecular formula C169H89F9N32 and a molecular weight of 2738.78 g/mol. Its IUPAC name is 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyano-5-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[2-cyano-6-(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)-7,8-dihydrocarbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(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-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[2-cyano-6-(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)-7,8-dihydrocarbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile
• PubChem CID: 137381576
• Molecular Formula: C169H89F9N32
• Molecular Weight: 2738.78 g/mol
• Exact Mass: 2736.78
• IUPAC Name: 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyano-5-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[2-cyano-6-(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)-7,8-dihydrocarbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile
• SMILES: Cc1nc(C)nc(C2=Cc3c(n(-c4cc(C#N)c(-c5c(C#N)cccc5C(F)(F)F)cc4-n4c5ccccc5c5cc(-c6nc(C)nc(C)n6)ccc54)c4ccc(-c5cc(-c6nc(C)nc(C)n6)cc6c5c5ccccc5n6-c5cc(-c6c(C#N)cccc6C(F)(F)F)c(C#N)cc5-n5c6ccccc6c6ccc(-c7nc(C)nc(Cc8c(C#N)cc(C#N)cc8-c8ccc9c(c8)c8cc(-c%10cc(C#N)cc(C#N)c%10)ccc8n9-c8cc(-c9c(C#N)cccc9C(F)(F)F)c(C#N)cc8-n8c9ccc(-c%10cc(C#N)cc(C#N)c%10)cc9c9cc(-c%10cc(C#N)cc(C#N)c%10)ccc98)n7)cc65)cc34)CC2)n1
• InChI: InChI=1S/C169H89F9N32/c1-87-193-88(2)198-163(197-87)106-35-43-143-130(61-106)121-21-9-12-27-141(121)205(143)154-69-127(159-109(80-186)17-14-23-137(159)167(170,171)172)117(84-190)66-151(154)207-147-42-34-105(60-135(147)136-62-107(36-44-149(136)207)164-199-89(3)194-90(4)200-164)126-63-115(166-201-91(5)195-92(6)202-166)65-157-162(126)123-22-10-13-28-142(123)210(157)156-71-129(161-111(82-188)19-16-25-139(161)169(176,177)178)119(86-192)68-153(156)209-140-26-11-8-20-120(140)122-37-29-108(64-150(122)209)165-203-93(7)196-158(204-165)72-125-116(83-189)54-100(79-185)55-124(125)104-33-41-148-134(59-104)133-58-103(114-52-98(77-183)47-99(53-114)78-184)32-40-146(133)208(148)155-70-128(160-110(81-187)18-15-24-138(160)168(173,174)175)118(85-191)67-152(155)206-144-38-30-101(112-48-94(73-179)45-95(49-112)74-180)56-131(144)132-57-102(31-39-145(132)206)113-50-96(75-181)46-97(51-113)76-182/h8-35,37-43,45-71H,36,44,72H2,1-7H3
• InChIKey: PXNVPUHLQVOXJP-UHFFFAOYSA-N
• XLogP: 37.69
• 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	2738.78
LogP ≤ 5	37.69
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-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[2-cyano-6-(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)-7,8-dihydrocarbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(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-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[2-cyano-6-(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)-7,8-dihydrocarbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile (CID 137381576) is 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyano-5-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[2-cyano-6-(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)-7,8-dihydrocarbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(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-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[2-cyano-6-(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)-7,8-dihydrocarbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(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-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[2-cyano-6-(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)-7,8-dihydrocarbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile is Cc1nc(C)nc(C2=Cc3c(n(-c4cc(C#N)c(-c5c(C#N)cccc5C(F)(F)F)cc4-n4c5ccccc5c5cc(-c6nc(C)nc(C)n6)ccc54)c4ccc(-c5cc(-c6nc(C)nc(C)n6)cc6c5c5ccccc5n6-c5cc(-c6c(C#N)cccc6C(F)(F)F)c(C#N)cc5-n5c6ccccc6c6ccc(-c7nc(C)nc(Cc8c(C#N)cc(C#N)cc8-c8ccc9c(c8)c8cc(-c%10cc(C#N)cc(C#N)c%10)ccc8n9-c8cc(-c9c(C#N)cccc9C(F)(F)F)c(C#N)cc8-n8c9ccc(-c%10cc(C#N)cc(C#N)c%10)cc9c9cc(-c%10cc(C#N)cc(C#N)c%10)ccc98)n7)cc65)cc34)CC2)n1.

What is the InChIKey of 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyano-5-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[2-cyano-6-(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)-7,8-dihydrocarbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile?

The InChIKey is PXNVPUHLQVOXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C169H89F9N32/c1-87-193-88(2)198-163(197-87)106-35-43-143-130(61-106)121-21-9-12-27-141(121)205(143)154-69-127(159-109(80-186)17-14-23-137(159)167(170,171)172)117(84-190)66-151(154)207-147-42-34-105(60-135(147)136-62-107(36-44-149(136)207)164-199-89(3)194-90(4)200-164)126-63-115(166-201-91(5)195-92(6)202-166)65-157-162(126)123-22-10-13-28-142(123)210(157)156-71-129(161-111(82-188)19-16-25-139(161)169(176,177)178)119(86-192)68-153(156)209-140-26-11-8-20-120(140)122-37-29-108(64-150(122)209)165-203-93(7)196-158(204-165)72-125-116(83-189)54-100(79-185)55-124(125)104-33-41-148-134(59-104)133-58-103(114-52-98(77-183)47-99(53-114)78-184)32-40-146(133)208(148)155-70-128(160-110(81-187)18-15-24-138(160)168(173,174)175)118(85-191)67-152(155)206-144-38-30-101(112-48-94(73-179)45-95(49-112)74-180)56-131(144)132-57-102(31-39-145(132)206)113-50-96(75-181)46-97(51-113)76-182/h8-35,37-43,45-71H,36,44,72H2,1-7H3.

What are the key properties of 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyano-5-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[2-cyano-6-(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)-7,8-dihydrocarbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(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-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[2-cyano-6-(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)-7,8-dihydrocarbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile has a molecular weight of 2738.78 g/mol, XLogP of 37.69, 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-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[2-cyano-6-(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)-7,8-dihydrocarbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 137381576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).