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

C169H87F18N29 — CID 137392917

About 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-5-cyano-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]-5-cyanophenyl]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-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-5-cyano-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]-5-cyanophenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile (PubChem CID 137392917) has the molecular formula C169H87F18N29 and a molecular weight of 2865.72 g/mol. Its IUPAC name is 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-5-cyano-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]-5-cyanophenyl]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-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-5-cyano-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]-5-cyanophenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile
• PubChem CID: 137392917
• Molecular Formula: C169H87F18N29
• Molecular Weight: 2865.72 g/mol
• Exact Mass: 2863.74
• IUPAC Name: 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-5-cyano-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]-5-cyanophenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile
• SMILES: Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3c(C(F)(F)F)cccc3C(F)(F)F)c(C#N)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4cc(-c5nc(C)nc(C)n5)cc5c4c4ccccc4n5-c4cc(-c5c(C(F)(F)F)cccc5C(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(-c8c(C(F)(F)F)cccc8C(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)ccc32)n1
• InChI: InChI=1S/C169H87F18N29/c1-84-199-85(2)204-160(203-84)103-35-43-140-124(61-103)115-18-9-12-27-138(115)211(140)151-69-121(157-131(164(170,171)172)20-14-21-132(157)165(173,174)175)111(81-196)66-148(151)213-144-42-34-102(60-129(144)130-62-104(36-44-146(130)213)161-205-86(3)200-87(4)206-161)120-63-109(163-207-88(5)201-89(6)208-163)65-154-156(120)117-19-10-13-28-139(117)216(154)153-71-123(159-135(168(182,183)184)24-16-25-136(159)169(185,186)187)113(83-198)68-150(153)215-137-26-11-8-17-114(137)116-37-29-105(64-147(116)215)162-209-90(7)202-155(210-162)72-119-110(80-195)54-97(79-194)55-118(119)101-33-41-145-128(59-101)127-58-100(108-52-95(77-192)47-96(53-108)78-193)32-40-143(127)214(145)152-70-122(158-133(166(176,177)178)22-15-23-134(158)167(179,180)181)112(82-197)67-149(152)212-141-38-30-98(106-48-91(73-188)45-92(49-106)74-189)56-125(141)126-57-99(31-39-142(126)212)107-50-93(75-190)46-94(51-107)76-191/h8-71H,72H2,1-7H3
• InChIKey: SPOVXMLZBPHAQU-UHFFFAOYSA-N
• XLogP: 41.46
• TPSA: 445.95 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2865.72
LogP ≤ 5	41.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-5-cyano-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]-5-cyanophenyl]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-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-5-cyano-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]-5-cyanophenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile (CID 137392917) is 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-5-cyano-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]-5-cyanophenyl]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-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-5-cyano-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]-5-cyanophenyl]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-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-5-cyano-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]-5-cyanophenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile is Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3c(C(F)(F)F)cccc3C(F)(F)F)c(C#N)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4cc(-c5nc(C)nc(C)n5)cc5c4c4ccccc4n5-c4cc(-c5c(C(F)(F)F)cccc5C(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(-c8c(C(F)(F)F)cccc8C(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)ccc32)n1.

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

The InChIKey is SPOVXMLZBPHAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C169H87F18N29/c1-84-199-85(2)204-160(203-84)103-35-43-140-124(61-103)115-18-9-12-27-138(115)211(140)151-69-121(157-131(164(170,171)172)20-14-21-132(157)165(173,174)175)111(81-196)66-148(151)213-144-42-34-102(60-129(144)130-62-104(36-44-146(130)213)161-205-86(3)200-87(4)206-161)120-63-109(163-207-88(5)201-89(6)208-163)65-154-156(120)117-19-10-13-28-139(117)216(154)153-71-123(159-135(168(182,183)184)24-16-25-136(159)169(185,186)187)113(83-198)68-150(153)215-137-26-11-8-17-114(137)116-37-29-105(64-147(116)215)162-209-90(7)202-155(210-162)72-119-110(80-195)54-97(79-194)55-118(119)101-33-41-145-128(59-101)127-58-100(108-52-95(77-192)47-96(53-108)78-193)32-40-143(127)214(145)152-70-122(158-133(166(176,177)178)22-15-23-134(158)167(179,180)181)112(82-197)67-149(152)212-141-38-30-98(106-48-91(73-188)45-92(49-106)74-189)56-125(141)126-57-99(31-39-142(126)212)107-50-93(75-190)46-94(51-107)76-191/h8-71H,72H2,1-7H3.

What are the key properties of 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-5-cyano-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]-5-cyanophenyl]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-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-5-cyano-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]-5-cyanophenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile has a molecular weight of 2865.72 g/mol, XLogP of 41.46, 20 rotatable bonds, 0 hydrogen bond donors, and 29 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-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-5-cyano-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]-5-cyanophenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 137392917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).