9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole

C300H196F12N48 — CID 160737686

IUPAC9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1cc(-c2ccc(-c3cc(C#N)ccc3-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)c(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)cc(C(F)(F)F)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1
InChIInChI=1S/C105H64F3N15.C75H46F3N9.C65H48F3N15.C55H38F3N9/c1-64-55-78(57-79(56-64)105(106,107)108)73-43-49-81(92(62-73)123-89-52-46-76(103-118-97(69-35-19-7-20-36-69)112-98(119-103)70-37-21-8-22-38-70)60-84(89)85-61-77(47-53-90(85)123)104-120-99(71-39-23-9-24-40-71)113-100(121-104)72-41-25-10-26-42-72)86-63-80(109-2)48-54-91(86)122-87-50-44-74(101-114-93(65-27-11-3-12-28-65)110-94(115-101)66-29-13-4-14-30-66)58-82(87)83-59-75(45-51-88(83)122)102-116-95(67-31-15-5-16-32-67)111-96(117-102)68-33-17-6-18-34-68;1-46-39-54(41-55(40-46)75(76,77)78)51-31-35-59(68(44-51)87-64-30-18-16-28-58(64)61-43-53(33-37-66(61)87)74-84-71(49-23-11-5-12-24-49)81-72(85-74)50-25-13-6-14-26-50)62-45-56(79-2)34-38-67(62)86-63-29-17-15-27-57(63)60-42-52(32-36-65(60)86)73-82-69(47-19-7-3-8-20-47)80-70(83-73)48-21-9-4-10-22-48;1-32-23-46(25-47(24-32)65(66,67)68)41-11-17-49(60(30-41)83-57-20-14-44(63-78-37(6)72-38(7)79-63)28-52(57)53-29-45(15-21-58(53)83)64-80-39(8)73-40(9)81-64)54-31-48(69-10)16-22-59(54)82-55-18-12-42(61-74-33(2)70-34(3)75-61)26-50(55)51-27-43(13-19-56(51)82)62-76-35(4)71-36(5)77-62;1-30-22-39(25-40(23-30)55(56,57)58)36-15-18-43(52(28-36)67-48-13-9-7-11-42(48)46-27-38(17-21-51(46)67)54-64-33(4)61-34(5)65-54)44-24-35(29-59)14-19-49(44)66-47-12-8-6-10-41(47)45-26-37(16-20-50(45)66)53-62-31(2)60-32(3)63-53/h3-63H,1H3;3-45H,1H3;11-31H,1-9H3;6-28H,1-5H3
InChIKeyRVEBKURNGSJPDG-UHFFFAOYSA-N
MW4701.18 g/mol
LogP73.62
Rot. Bonds40

About 9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole

9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 160737686) has the molecular formula C300H196F12N48 and a molecular weight of 4701.18 g/mol. Its IUPAC name is 9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID160737686
Molecular FormulaC300H196F12N48
Molecular Weight4701.18 g/mol
Exact Mass4697.66
IUPAC Name9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1cc(-c2ccc(-c3cc(C#N)ccc3-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)c(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)cc(C(F)(F)F)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1
InChIInChI=1S/C105H64F3N15.C75H46F3N9.C65H48F3N15.C55H38F3N9/c1-64-55-78(57-79(56-64)105(106,107)108)73-43-49-81(92(62-73)123-89-52-46-76(103-118-97(69-35-19-7-20-36-69)112-98(119-103)70-37-21-8-22-38-70)60-84(89)85-61-77(47-53-90(85)123)104-120-99(71-39-23-9-24-40-71)113-100(121-104)72-41-25-10-26-42-72)86-63-80(109-2)48-54-91(86)122-87-50-44-74(101-114-93(65-27-11-3-12-28-65)110-94(115-101)66-29-13-4-14-30-66)58-82(87)83-59-75(45-51-88(83)122)102-116-95(67-31-15-5-16-32-67)111-96(117-102)68-33-17-6-18-34-68;1-46-39-54(41-55(40-46)75(76,77)78)51-31-35-59(68(44-51)87-64-30-18-16-28-58(64)61-43-53(33-37-66(61)87)74-84-71(49-23-11-5-12-24-49)81-72(85-74)50-25-13-6-14-26-50)62-45-56(79-2)34-38-67(62)86-63-29-17-15-27-57(63)60-42-52(32-36-65(60)86)73-82-69(47-19-7-3-8-20-47)80-70(83-73)48-21-9-4-10-22-48;1-32-23-46(25-47(24-32)65(66,67)68)41-11-17-49(60(30-41)83-57-20-14-44(63-78-37(6)72-38(7)79-63)28-52(57)53-29-45(15-21-58(53)83)64-80-39(8)73-40(9)81-64)54-31-48(69-10)16-22-59(54)82-55-18-12-42(61-74-33(2)70-34(3)75-61)26-50(55)51-27-43(13-19-56(51)82)62-76-35(4)71-36(5)77-62;1-30-22-39(25-40(23-30)55(56,57)58)36-15-18-43(52(28-36)67-48-13-9-7-11-42(48)46-27-38(17-21-51(46)67)54-64-33(4)61-34(5)65-54)44-24-35(29-59)14-19-49(44)66-47-12-8-6-10-41(47)45-26-37(16-20-50(45)66)53-62-31(2)60-32(3)63-53/h3-63H,1H3;3-45H,1H3;11-31H,1-9H3;6-28H,1-5H3
InChIKeyRVEBKURNGSJPDG-UHFFFAOYSA-N
XLogP73.62
TPSA540.35 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds40
Heavy Atoms360
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004701.18
LogP ≤ 573.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Analyze 9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole with MolForge

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Related Compounds

3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;9-[5-cyano-2-[2-(3,6-diisocyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[5-cyano-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 158525517
3-[9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-isocyanophenyl]carbazol-3-yl]benzonitrile
CID 154603006
4-[9-[5-cyano-2-[2-[3-(2,4-diisocyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 157112803
3-[3-(4-cyanophenyl)carbazol-9-yl]-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4-isocyanophenyl)carbazol-9-yl]phenyl]benzonitrile
CID 154603045
4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile
CID 154603020
4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003347
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-3-[3-(3-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 154603143
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole
CID 153435087
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 155003380
4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003391
5-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 162611751
4-(3-carbazol-9-ylcarbazol-9-yl)-3-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;3-[4-[5-cyano-2-[2-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-[2-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile;4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[4-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-isocyanophenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;3-[4-[5-isocyano-2-[2-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 158868764

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole (CID 160737686) is 9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole is Cc1cc(-c2ccc(-c3cc(C#N)ccc3-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)c(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)cc(C(F)(F)F)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.
What is the InChIKey of 9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is RVEBKURNGSJPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H64F3N15.C75H46F3N9.C65H48F3N15.C55H38F3N9/c1-64-55-78(57-79(56-64)105(106,107)108)73-43-49-81(92(62-73)123-89-52-46-76(103-118-97(69-35-19-7-20-36-69)112-98(119-103)70-37-21-8-22-38-70)60-84(89)85-61-77(47-53-90(85)123)104-120-99(71-39-23-9-24-40-71)113-100(121-104)72-41-25-10-26-42-72)86-63-80(109-2)48-54-91(86)122-87-50-44-74(101-114-93(65-27-11-3-12-28-65)110-94(115-101)66-29-13-4-14-30-66)58-82(87)83-59-75(45-51-88(83)122)102-116-95(67-31-15-5-16-32-67)111-96(117-102)68-33-17-6-18-34-68;1-46-39-54(41-55(40-46)75(76,77)78)51-31-35-59(68(44-51)87-64-30-18-16-28-58(64)61-43-53(33-37-66(61)87)74-84-71(49-23-11-5-12-24-49)81-72(85-74)50-25-13-6-14-26-50)62-45-56(79-2)34-38-67(62)86-63-29-17-15-27-57(63)60-42-52(32-36-65(60)86)73-82-69(47-19-7-3-8-20-47)80-70(83-73)48-21-9-4-10-22-48;1-32-23-46(25-47(24-32)65(66,67)68)41-11-17-49(60(30-41)83-57-20-14-44(63-78-37(6)72-38(7)79-63)28-52(57)53-29-45(15-21-58(53)83)64-80-39(8)73-40(9)81-64)54-31-48(69-10)16-22-59(54)82-55-18-12-42(61-74-33(2)70-34(3)75-61)26-50(55)51-27-43(13-19-56(51)82)62-76-35(4)71-36(5)77-62;1-30-22-39(25-40(23-30)55(56,57)58)36-15-18-43(52(28-36)67-48-13-9-7-11-42(48)46-27-38(17-21-51(46)67)54-64-33(4)61-34(5)65-54)44-24-35(29-59)14-19-49(44)66-47-12-8-6-10-41(47)45-26-37(16-20-50(45)66)53-62-31(2)60-32(3)63-53/h3-63H,1H3;3-45H,1H3;11-31H,1-9H3;6-28H,1-5H3.
What are the key properties of 9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole?
9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 4701.18 g/mol, XLogP of 73.62, 40 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 160737686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).