5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyridine-2-carbonitrile;5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile;methane;2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;5-[2,3,5,6-tetrakis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-cyanophenyl]pyridine-2-carbonitrile

C404H262F3N27 — CID 159833917

IUPAC5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyridine-2-carbonitrile;5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile;methane;2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;5-[2,3,5,6-tetrakis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-cyanophenyl]pyridine-2-carbonitrile
SMILESC.Cc1cc(-c2c(-n3c4ccccc4c4c5ccccc5ccc43)c(-n3c4ccccc4c4c5ccccc5ccc43)c(C#N)c(-n3c4ccccc4c4c5ccccc5ccc43)c2-n2c3ccccc3c3c4ccccc4ccc32)cc(C(F)(F)F)c1.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2c(C#N)c(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)c(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)c(-c3ccc(C#N)nc3)c2-n2c3ccc(-c4ccc(C)cc4)cc3c3cc(-c4ccc(C)cc4)ccc32)cc1.Cc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1c(C#N)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2ccc(C#N)nc2)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.Cc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1c(C#N)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2cnc(C#N)nc2)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C117H83N7.C104H65N7.C103H64N8.C79H46F3N5.CH4/c1-70-9-25-78(26-10-70)86-42-51-105-96(59-86)97-60-87(79-27-11-71(2)12-28-79)43-52-106(97)121(105)114-104(68-119)115(122-107-53-44-88(80-29-13-72(3)14-30-80)61-98(107)99-62-89(45-54-108(99)122)81-31-15-73(4)16-32-81)117(124-111-57-48-92(84-37-21-76(7)22-38-84)65-102(111)103-66-93(49-58-112(103)124)85-39-23-77(8)24-40-85)113(94-41-50-95(67-118)120-69-94)116(114)123-109-55-46-90(82-33-17-74(5)18-34-82)63-100(109)101-64-91(47-56-110(101)123)83-35-19-75(6)20-36-83;1-66-37-47-92-83(55-66)84-56-74(67-23-9-2-10-24-67)39-48-93(84)108(92)101-91(64-106)102(109-94-49-40-75(68-25-11-3-12-26-68)57-85(94)86-58-76(41-50-95(86)109)69-27-13-4-14-28-69)104(111-98-53-44-79(72-33-19-7-20-34-72)61-89(98)90-62-80(45-54-99(90)111)73-35-21-8-22-36-73)100(81-38-46-82(63-105)107-65-81)103(101)110-96-51-42-77(70-29-15-5-16-30-70)59-87(96)88-60-78(43-52-97(88)110)71-31-17-6-18-32-71;1-65-37-45-90-81(53-65)82-54-73(66-23-9-2-10-24-66)38-46-91(82)108(90)100-89(61-104)101(109-92-47-39-74(67-25-11-3-12-26-67)55-83(92)84-56-75(40-48-93(84)109)68-27-13-4-14-28-68)103(111-96-51-43-78(71-33-19-7-20-34-71)59-87(96)88-60-79(44-52-97(88)111)72-35-21-8-22-36-72)99(80-63-106-98(62-105)107-64-80)102(100)110-94-49-41-76(69-29-15-5-16-30-69)57-85(94)86-58-77(42-50-95(86)110)70-31-17-6-18-32-70;1-46-42-51(44-52(43-46)79(80,81)82)70-77(86-64-32-16-12-28-59(64)73-55-24-8-4-20-49(55)36-40-68(73)86)75(84-62-30-14-10-26-57(62)71-53-22-6-2-18-47(53)34-38-66(71)84)61(45-83)76(85-63-31-15-11-27-58(63)72-54-23-7-3-19-48(54)35-39-67(72)85)78(70)87-65-33-17-13-29-60(65)74-56-25-9-5-21-50(56)37-41-69(74)87;/h9-66,69H,1-8H3;2-62,65H,1H3;2-60,63-64H,1H3;2-44H,1H3;1H4
InChIKeyNNURRVPAFOXYFL-UHFFFAOYSA-N
MW5551.72 g/mol
LogP105.98
Rot. Bonds42

About 5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyridine-2-carbonitrile;5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile;methane;2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;5-[2,3,5,6-tetrakis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-cyanophenyl]pyridine-2-carbonitrile

5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyridine-2-carbonitrile;5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile;methane;2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;5-[2,3,5,6-tetrakis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-cyanophenyl]pyridine-2-carbonitrile (PubChem CID 159833917) has the molecular formula C404H262F3N27 and a molecular weight of 5551.72 g/mol. Its IUPAC name is 5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyridine-2-carbonitrile;5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile;methane;2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;5-[2,3,5,6-tetrakis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-cyanophenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyridine-2-carbonitrile;5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile;methane;2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;5-[2,3,5,6-tetrakis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-cyanophenyl]pyridine-2-carbonitrile
PubChem CID159833917
Molecular FormulaC404H262F3N27
Molecular Weight5551.72 g/mol
Exact Mass5547.13
IUPAC Name5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyridine-2-carbonitrile;5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile;methane;2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;5-[2,3,5,6-tetrakis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-cyanophenyl]pyridine-2-carbonitrile
SMILESC.Cc1cc(-c2c(-n3c4ccccc4c4c5ccccc5ccc43)c(-n3c4ccccc4c4c5ccccc5ccc43)c(C#N)c(-n3c4ccccc4c4c5ccccc5ccc43)c2-n2c3ccccc3c3c4ccccc4ccc32)cc(C(F)(F)F)c1.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2c(C#N)c(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)c(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)c(-c3ccc(C#N)nc3)c2-n2c3ccc(-c4ccc(C)cc4)cc3c3cc(-c4ccc(C)cc4)ccc32)cc1.Cc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1c(C#N)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2ccc(C#N)nc2)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.Cc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1c(C#N)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2cnc(C#N)nc2)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C117H83N7.C104H65N7.C103H64N8.C79H46F3N5.CH4/c1-70-9-25-78(26-10-70)86-42-51-105-96(59-86)97-60-87(79-27-11-71(2)12-28-79)43-52-106(97)121(105)114-104(68-119)115(122-107-53-44-88(80-29-13-72(3)14-30-80)61-98(107)99-62-89(45-54-108(99)122)81-31-15-73(4)16-32-81)117(124-111-57-48-92(84-37-21-76(7)22-38-84)65-102(111)103-66-93(49-58-112(103)124)85-39-23-77(8)24-40-85)113(94-41-50-95(67-118)120-69-94)116(114)123-109-55-46-90(82-33-17-74(5)18-34-82)63-100(109)101-64-91(47-56-110(101)123)83-35-19-75(6)20-36-83;1-66-37-47-92-83(55-66)84-56-74(67-23-9-2-10-24-67)39-48-93(84)108(92)101-91(64-106)102(109-94-49-40-75(68-25-11-3-12-26-68)57-85(94)86-58-76(41-50-95(86)109)69-27-13-4-14-28-69)104(111-98-53-44-79(72-33-19-7-20-34-72)61-89(98)90-62-80(45-54-99(90)111)73-35-21-8-22-36-73)100(81-38-46-82(63-105)107-65-81)103(101)110-96-51-42-77(70-29-15-5-16-30-70)59-87(96)88-60-78(43-52-97(88)110)71-31-17-6-18-32-71;1-65-37-45-90-81(53-65)82-54-73(66-23-9-2-10-24-66)38-46-91(82)108(90)100-89(61-104)101(109-92-47-39-74(67-25-11-3-12-26-67)55-83(92)84-56-75(40-48-93(84)109)68-27-13-4-14-28-68)103(111-96-51-43-78(71-33-19-7-20-34-71)59-87(96)88-60-79(44-52-97(88)111)72-35-21-8-22-36-72)99(80-63-106-98(62-105)107-64-80)102(100)110-94-49-41-76(69-29-15-5-16-30-69)57-85(94)86-58-77(42-50-95(86)110)70-31-17-6-18-32-70;1-46-42-51(44-52(43-46)79(80,81)82)70-77(86-64-32-16-12-28-59(64)73-55-24-8-4-20-49(55)36-40-68(73)86)75(84-62-30-14-10-26-57(62)71-53-22-6-2-18-47(53)34-38-66(71)84)61(45-83)76(85-63-31-15-11-27-58(63)72-54-23-7-3-19-48(54)35-39-67(72)85)78(70)87-65-33-17-13-29-60(65)74-56-25-9-5-21-50(56)37-41-69(74)87;/h9-66,69H,1-8H3;2-62,65H,1H3;2-60,63-64H,1H3;2-44H,1H3;1H4
InChIKeyNNURRVPAFOXYFL-UHFFFAOYSA-N
XLogP105.98
TPSA296.97 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds42
Heavy Atoms434
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005551.72
LogP ≤ 5105.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyridine-2-carbonitrile;5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile;methane;2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;5-[2,3,5,6-tetrakis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-cyanophenyl]pyridine-2-carbonitrile with MolForge

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Related Compounds

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CID 137100819
2-(2-Adamantyl)-9-[3-[2-(2-adamantyl)-6-ethylpyrimido[4,5-b]indol-9-yl]-5-(trifluoromethyl)phenyl]-6-ethylpyrimido[4,5-b]indole
CID 67988504
5-Phenyl-7-[4-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]pyridin-2-yl]-3-(trifluoromethyl)indolo[2,3-b]carbazole
CID 68082641
3-(4-Fluorophenyl)-2-[3-[3-(4-fluorophenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenyl]imidazo[4,5-f][1,10]phenanthroline
CID 74538788
9-[4-(4-Naphthalen-1-ylphenyl)quinazolin-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]carbazole
CID 90062659
7-(3,10-Diphenylpyrrolo[3,2-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole
CID 90183058
7-[9-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]-3,10-diphenylpyrrolo[3,2-a]carbazole
CID 90183108
10-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole
CID 90183114
7-(1,10-Diphenylpyrrolo[2,3-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole
CID 90183220
2-[2-Fluoro-4-[3-[3-(4-naphthalen-1-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149510
5-[6-[7-[3-(9-Phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]-2-(trifluoromethyl)benzonitrile
CID 118259457
2-[3,5-Bis[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzo[h]quinazoline
CID 121401709

Frequently Asked Questions

What is the IUPAC name of 5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyridine-2-carbonitrile;5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile;methane;2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;5-[2,3,5,6-tetrakis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-cyanophenyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyridine-2-carbonitrile;5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile;methane;2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;5-[2,3,5,6-tetrakis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-cyanophenyl]pyridine-2-carbonitrile (CID 159833917) is 5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyridine-2-carbonitrile;5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile;methane;2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;5-[2,3,5,6-tetrakis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-cyanophenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyridine-2-carbonitrile;5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile;methane;2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;5-[2,3,5,6-tetrakis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-cyanophenyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyridine-2-carbonitrile;5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile;methane;2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;5-[2,3,5,6-tetrakis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-cyanophenyl]pyridine-2-carbonitrile is C.Cc1cc(-c2c(-n3c4ccccc4c4c5ccccc5ccc43)c(-n3c4ccccc4c4c5ccccc5ccc43)c(C#N)c(-n3c4ccccc4c4c5ccccc5ccc43)c2-n2c3ccccc3c3c4ccccc4ccc32)cc(C(F)(F)F)c1.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2c(C#N)c(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)c(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)c(-c3ccc(C#N)nc3)c2-n2c3ccc(-c4ccc(C)cc4)cc3c3cc(-c4ccc(C)cc4)ccc32)cc1.Cc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1c(C#N)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2ccc(C#N)nc2)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.Cc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1c(C#N)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2cnc(C#N)nc2)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyridine-2-carbonitrile;5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile;methane;2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;5-[2,3,5,6-tetrakis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-cyanophenyl]pyridine-2-carbonitrile?
The InChIKey is NNURRVPAFOXYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H83N7.C104H65N7.C103H64N8.C79H46F3N5.CH4/c1-70-9-25-78(26-10-70)86-42-51-105-96(59-86)97-60-87(79-27-11-71(2)12-28-79)43-52-106(97)121(105)114-104(68-119)115(122-107-53-44-88(80-29-13-72(3)14-30-80)61-98(107)99-62-89(45-54-108(99)122)81-31-15-73(4)16-32-81)117(124-111-57-48-92(84-37-21-76(7)22-38-84)65-102(111)103-66-93(49-58-112(103)124)85-39-23-77(8)24-40-85)113(94-41-50-95(67-118)120-69-94)116(114)123-109-55-46-90(82-33-17-74(5)18-34-82)63-100(109)101-64-91(47-56-110(101)123)83-35-19-75(6)20-36-83;1-66-37-47-92-83(55-66)84-56-74(67-23-9-2-10-24-67)39-48-93(84)108(92)101-91(64-106)102(109-94-49-40-75(68-25-11-3-12-26-68)57-85(94)86-58-76(41-50-95(86)109)69-27-13-4-14-28-69)104(111-98-53-44-79(72-33-19-7-20-34-72)61-89(98)90-62-80(45-54-99(90)111)73-35-21-8-22-36-73)100(81-38-46-82(63-105)107-65-81)103(101)110-96-51-42-77(70-29-15-5-16-30-70)59-87(96)88-60-78(43-52-97(88)110)71-31-17-6-18-32-71;1-65-37-45-90-81(53-65)82-54-73(66-23-9-2-10-24-66)38-46-91(82)108(90)100-89(61-104)101(109-92-47-39-74(67-25-11-3-12-26-67)55-83(92)84-56-75(40-48-93(84)109)68-27-13-4-14-28-68)103(111-96-51-43-78(71-33-19-7-20-34-71)59-87(96)88-60-79(44-52-97(88)111)72-35-21-8-22-36-72)99(80-63-106-98(62-105)107-64-80)102(100)110-94-49-41-76(69-29-15-5-16-30-69)57-85(94)86-58-77(42-50-95(86)110)70-31-17-6-18-32-70;1-46-42-51(44-52(43-46)79(80,81)82)70-77(86-64-32-16-12-28-59(64)73-55-24-8-4-20-49(55)36-40-68(73)86)75(84-62-30-14-10-26-57(62)71-53-22-6-2-18-47(53)34-38-66(71)84)61(45-83)76(85-63-31-15-11-27-58(63)72-54-23-7-3-19-48(54)35-39-67(72)85)78(70)87-65-33-17-13-29-60(65)74-56-25-9-5-21-50(56)37-41-69(74)87;/h9-66,69H,1-8H3;2-62,65H,1H3;2-60,63-64H,1H3;2-44H,1H3;1H4.
What are the key properties of 5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyridine-2-carbonitrile;5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile;methane;2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;5-[2,3,5,6-tetrakis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-cyanophenyl]pyridine-2-carbonitrile?
5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyridine-2-carbonitrile;5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile;methane;2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;5-[2,3,5,6-tetrakis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-cyanophenyl]pyridine-2-carbonitrile has a molecular weight of 5551.72 g/mol, XLogP of 105.98, 42 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyridine-2-carbonitrile;5-[4-cyano-2,3,6-tris(3,6-diphenylcarbazol-9-yl)-5-(3-methyl-6-phenylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile;methane;2,3,5,6-tetrakis(benzo[c]carbazol-7-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile;5-[2,3,5,6-tetrakis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-cyanophenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 159833917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).