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

C167H89F9N30 — CID 146238239

About 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-(3-cyanophenyl)-2-[4-[9-[4-(3,5-dicyanophenyl)-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)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-(trifluoromethyl)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-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-(3-cyanophenyl)-2-[4-[9-[4-(3,5-dicyanophenyl)-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)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-(trifluoromethyl)phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile (PubChem CID 146238239) has the molecular formula C167H89F9N30 and a molecular weight of 2686.74 g/mol. Its IUPAC name is 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-(3-cyanophenyl)-2-[4-[9-[4-(3,5-dicyanophenyl)-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)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-(trifluoromethyl)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-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-(3-cyanophenyl)-2-[4-[9-[4-(3,5-dicyanophenyl)-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)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-(trifluoromethyl)phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile
• PubChem CID: 146238239
• Molecular Formula: C167H89F9N30
• Molecular Weight: 2686.74 g/mol
• Exact Mass: 2684.77
• IUPAC Name: 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-(3-cyanophenyl)-2-[4-[9-[4-(3,5-dicyanophenyl)-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)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-(trifluoromethyl)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#N)c3)c(C(F)(F)F)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4cc(-c5nc(C)nc(C)n5)cc5c4c4ccccc4n5-c4cc(-c5cccc(C#N)c5)c(C(F)(F)F)cc4-n4c5ccccc5c5ccc(-c6nc(C)nc(Cc7c(C#N)cc(C#N)cc7-c7ccc8c(c7)c7cc(-c9cc(C#N)cc(C#N)c9)ccc7n8-c7cc(-c8cccc(C#N)c8)c(C(F)(F)F)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/C167H89F9N30/c1-87-189-88(2)194-161(193-87)112-32-40-144-131(63-112)122-21-9-12-24-142(122)201(144)153-70-129(118-54-102(83-185)45-103(55-118)84-186)140(167(174,175)176)74-156(153)204-149-39-31-111(62-136(149)137-64-113(33-41-150(137)204)162-195-89(3)190-90(4)196-162)130-65-119(164-197-91(5)191-92(6)198-164)67-158-160(130)124-22-10-13-25-143(124)206(158)154-69-128(109-19-15-17-95(47-109)76-178)139(166(171,172)173)73-157(154)205-141-23-11-8-20-121(141)123-34-26-114(66-151(123)205)163-199-93(7)192-159(200-163)71-126-120(86-188)56-104(85-187)57-125(126)110-30-38-148-135(61-110)134-60-107(117-52-100(81-183)44-101(53-117)82-184)27-35-145(134)202(148)152-68-127(108-18-14-16-94(46-108)75-177)138(165(168,169)170)72-155(152)203-146-36-28-105(115-48-96(77-179)42-97(49-115)78-180)58-132(146)133-59-106(29-37-147(133)203)116-50-98(79-181)43-99(51-116)80-182/h8-70,72-74H,71H2,1-7H3
• InChIKey: VHCQTPMHCPTYKB-UHFFFAOYSA-N
• XLogP: 38.28
• TPSA: 469.74 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2686.74
LogP ≤ 5	38.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-(3-cyanophenyl)-2-[4-[9-[4-(3,5-dicyanophenyl)-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)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-(trifluoromethyl)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-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-(3-cyanophenyl)-2-[4-[9-[4-(3,5-dicyanophenyl)-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)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-(trifluoromethyl)phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile (CID 146238239) is 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-(3-cyanophenyl)-2-[4-[9-[4-(3,5-dicyanophenyl)-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)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-(trifluoromethyl)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-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-(3-cyanophenyl)-2-[4-[9-[4-(3,5-dicyanophenyl)-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)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-(trifluoromethyl)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-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-(3-cyanophenyl)-2-[4-[9-[4-(3,5-dicyanophenyl)-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)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-(trifluoromethyl)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#N)c3)c(C(F)(F)F)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4cc(-c5nc(C)nc(C)n5)cc5c4c4ccccc4n5-c4cc(-c5cccc(C#N)c5)c(C(F)(F)F)cc4-n4c5ccccc5c5ccc(-c6nc(C)nc(Cc7c(C#N)cc(C#N)cc7-c7ccc8c(c7)c7cc(-c9cc(C#N)cc(C#N)c9)ccc7n8-c7cc(-c8cccc(C#N)c8)c(C(F)(F)F)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-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-(3-cyanophenyl)-2-[4-[9-[4-(3,5-dicyanophenyl)-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)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-(trifluoromethyl)phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile?

The InChIKey is VHCQTPMHCPTYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C167H89F9N30/c1-87-189-88(2)194-161(193-87)112-32-40-144-131(63-112)122-21-9-12-24-142(122)201(144)153-70-129(118-54-102(83-185)45-103(55-118)84-186)140(167(174,175)176)74-156(153)204-149-39-31-111(62-136(149)137-64-113(33-41-150(137)204)162-195-89(3)190-90(4)196-162)130-65-119(164-197-91(5)191-92(6)198-164)67-158-160(130)124-22-10-13-25-143(124)206(158)154-69-128(109-19-15-17-95(47-109)76-178)139(166(171,172)173)73-157(154)205-141-23-11-8-20-121(141)123-34-26-114(66-151(123)205)163-199-93(7)192-159(200-163)71-126-120(86-188)56-104(85-187)57-125(126)110-30-38-148-135(61-110)134-60-107(117-52-100(81-183)44-101(53-117)82-184)27-35-145(134)202(148)152-68-127(108-18-14-16-94(46-108)75-177)138(165(168,169)170)72-155(152)203-146-36-28-105(115-48-96(77-179)42-97(49-115)78-180)58-132(146)133-59-106(29-37-147(133)203)116-50-98(79-181)43-99(51-116)80-182/h8-70,72-74H,71H2,1-7H3.

What are the key properties of 5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-(3-cyanophenyl)-2-[4-[9-[4-(3,5-dicyanophenyl)-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)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-(trifluoromethyl)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-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-(3-cyanophenyl)-2-[4-[9-[4-(3,5-dicyanophenyl)-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)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-(trifluoromethyl)phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile has a molecular weight of 2686.74 g/mol, XLogP of 38.28, 20 rotatable bonds, 0 hydrogen bond donors, and 30 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-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-(3-cyanophenyl)-2-[4-[9-[4-(3,5-dicyanophenyl)-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)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-(trifluoromethyl)phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 146238239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).