9-[2-[3-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[2-[3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;methane

C349H232F12N32 — CID 163651179

IUPAC9-[2-[3-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[2-[3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;methane
SMILESC.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)c2)c1.Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4ccccc4C)ccc32)c1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c1.FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C100H70N8.2C86H58N8.C76H42F12N8.CH4/c1-63-26-17-21-40-79(63)73-46-52-89-85(57-73)86-58-74(80-41-22-18-27-64(80)2)47-53-90(86)107(89)93-61-77(99-103-95(67-30-9-5-10-31-67)101-96(104-99)68-32-11-6-12-33-68)44-50-83(93)71-38-25-39-72(56-71)84-51-45-78(100-105-97(69-34-13-7-14-35-69)102-98(106-100)70-36-15-8-16-37-70)62-94(84)108-91-54-48-75(81-42-23-19-28-65(81)3)59-87(91)88-60-76(49-55-92(88)108)82-43-24-20-29-66(82)4;1-55-22-19-32-61(48-55)63-42-46-77-73(51-63)71-36-15-17-38-75(71)93(77)79-53-67(85-89-81(57-24-7-3-8-25-57)87-82(90-85)58-26-9-4-10-27-58)40-44-69(79)65-34-21-35-66(50-65)70-45-41-68(86-91-83(59-28-11-5-12-29-59)88-84(92-86)60-30-13-6-14-31-60)54-80(70)94-76-39-18-16-37-72(76)74-52-64(43-47-78(74)94)62-33-20-23-56(2)49-62;1-55-24-15-17-36-67(55)63-44-48-77-73(51-63)71-38-19-21-40-75(71)93(77)79-53-65(85-89-81(57-26-7-3-8-27-57)87-82(90-85)58-28-9-4-10-29-58)42-46-69(79)61-34-23-35-62(50-61)70-47-43-66(86-91-83(59-30-11-5-12-31-59)88-84(92-86)60-32-13-6-14-33-60)54-80(70)94-76-41-22-20-39-72(76)74-52-64(45-49-78(74)94)68-37-18-16-25-56(68)2;77-73(78,79)51-26-32-61-57(39-51)58-40-52(74(80,81)82)27-33-62(58)95(61)65-37-49(71-91-67(43-14-5-1-6-15-43)89-68(92-71)44-16-7-2-8-17-44)24-30-55(65)47-22-13-23-48(36-47)56-31-25-50(72-93-69(45-18-9-3-10-19-45)90-70(94-72)46-20-11-4-12-21-46)38-66(56)96-63-34-28-53(75(83,84)85)41-59(63)60-42-54(76(86,87)88)29-35-64(60)96;/h5-62H,1-4H3;2*3-54H,1-2H3;1-42H;1H4
InChIKeyIMJISXFSZICUHH-UHFFFAOYSA-N
MW5101.89 g/mol
LogP90.86
Rot. Bonds48

About 9-[2-[3-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[2-[3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;methane

9-[2-[3-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[2-[3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;methane (PubChem CID 163651179) has the molecular formula C349H232F12N32 and a molecular weight of 5101.89 g/mol. Its IUPAC name is 9-[2-[3-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[2-[3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;methane.

Molecular Properties

Compound Name9-[2-[3-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[2-[3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;methane
PubChem CID163651179
Molecular FormulaC349H232F12N32
Molecular Weight5101.89 g/mol
Exact Mass5097.89
IUPAC Name9-[2-[3-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[2-[3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;methane
SMILESC.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)c2)c1.Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4ccccc4C)ccc32)c1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c1.FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C100H70N8.2C86H58N8.C76H42F12N8.CH4/c1-63-26-17-21-40-79(63)73-46-52-89-85(57-73)86-58-74(80-41-22-18-27-64(80)2)47-53-90(86)107(89)93-61-77(99-103-95(67-30-9-5-10-31-67)101-96(104-99)68-32-11-6-12-33-68)44-50-83(93)71-38-25-39-72(56-71)84-51-45-78(100-105-97(69-34-13-7-14-35-69)102-98(106-100)70-36-15-8-16-37-70)62-94(84)108-91-54-48-75(81-42-23-19-28-65(81)3)59-87(91)88-60-76(49-55-92(88)108)82-43-24-20-29-66(82)4;1-55-22-19-32-61(48-55)63-42-46-77-73(51-63)71-36-15-17-38-75(71)93(77)79-53-67(85-89-81(57-24-7-3-8-25-57)87-82(90-85)58-26-9-4-10-27-58)40-44-69(79)65-34-21-35-66(50-65)70-45-41-68(86-91-83(59-28-11-5-12-29-59)88-84(92-86)60-30-13-6-14-31-60)54-80(70)94-76-39-18-16-37-72(76)74-52-64(43-47-78(74)94)62-33-20-23-56(2)49-62;1-55-24-15-17-36-67(55)63-44-48-77-73(51-63)71-38-19-21-40-75(71)93(77)79-53-65(85-89-81(57-26-7-3-8-27-57)87-82(90-85)58-28-9-4-10-29-58)42-46-69(79)61-34-23-35-62(50-61)70-47-43-66(86-91-83(59-30-11-5-12-31-59)88-84(92-86)60-32-13-6-14-33-60)54-80(70)94-76-41-22-20-39-72(76)74-52-64(45-49-78(74)94)68-37-18-16-25-56(68)2;77-73(78,79)51-26-32-61-57(39-51)58-40-52(74(80,81)82)27-33-62(58)95(61)65-37-49(71-91-67(43-14-5-1-6-15-43)89-68(92-71)44-16-7-2-8-17-44)24-30-55(65)47-22-13-23-48(36-47)56-31-25-50(72-93-69(45-18-9-3-10-19-45)90-70(94-72)46-20-11-4-12-21-46)38-66(56)96-63-34-28-53(75(83,84)85)41-59(63)60-42-54(76(86,87)88)29-35-64(60)96;/h5-62H,1-4H3;2*3-54H,1-2H3;1-42H;1H4
InChIKeyIMJISXFSZICUHH-UHFFFAOYSA-N
XLogP90.86
TPSA348.80 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds48
Heavy Atoms393
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005101.89
LogP ≤ 590.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

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

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[2-[3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;methane?
The IUPAC name of 9-[2-[3-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[2-[3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;methane (CID 163651179) is 9-[2-[3-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[2-[3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;methane.
What is the SMILES notation for 9-[2-[3-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[2-[3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;methane?
The canonical SMILES for 9-[2-[3-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[2-[3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;methane is C.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)c2)c1.Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4ccccc4C)ccc32)c1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c1.FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c1.
What is the InChIKey of 9-[2-[3-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[2-[3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;methane?
The InChIKey is IMJISXFSZICUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H70N8.2C86H58N8.C76H42F12N8.CH4/c1-63-26-17-21-40-79(63)73-46-52-89-85(57-73)86-58-74(80-41-22-18-27-64(80)2)47-53-90(86)107(89)93-61-77(99-103-95(67-30-9-5-10-31-67)101-96(104-99)68-32-11-6-12-33-68)44-50-83(93)71-38-25-39-72(56-71)84-51-45-78(100-105-97(69-34-13-7-14-35-69)102-98(106-100)70-36-15-8-16-37-70)62-94(84)108-91-54-48-75(81-42-23-19-28-65(81)3)59-87(91)88-60-76(49-55-92(88)108)82-43-24-20-29-66(82)4;1-55-22-19-32-61(48-55)63-42-46-77-73(51-63)71-36-15-17-38-75(71)93(77)79-53-67(85-89-81(57-24-7-3-8-25-57)87-82(90-85)58-26-9-4-10-27-58)40-44-69(79)65-34-21-35-66(50-65)70-45-41-68(86-91-83(59-28-11-5-12-29-59)88-84(92-86)60-30-13-6-14-31-60)54-80(70)94-76-39-18-16-37-72(76)74-52-64(43-47-78(74)94)62-33-20-23-56(2)49-62;1-55-24-15-17-36-67(55)63-44-48-77-73(51-63)71-38-19-21-40-75(71)93(77)79-53-65(85-89-81(57-26-7-3-8-27-57)87-82(90-85)58-28-9-4-10-29-58)42-46-69(79)61-34-23-35-62(50-61)70-47-43-66(86-91-83(59-30-11-5-12-31-59)88-84(92-86)60-32-13-6-14-33-60)54-80(70)94-76-41-22-20-39-72(76)74-52-64(45-49-78(74)94)68-37-18-16-25-56(68)2;77-73(78,79)51-26-32-61-57(39-51)58-40-52(74(80,81)82)27-33-62(58)95(61)65-37-49(71-91-67(43-14-5-1-6-15-43)89-68(92-71)44-16-7-2-8-17-44)24-30-55(65)47-22-13-23-48(36-47)56-31-25-50(72-93-69(45-18-9-3-10-19-45)90-70(94-72)46-20-11-4-12-21-46)38-66(56)96-63-34-28-53(75(83,84)85)41-59(63)60-42-54(76(86,87)88)29-35-64(60)96;/h5-62H,1-4H3;2*3-54H,1-2H3;1-42H;1H4.
What are the key properties of 9-[2-[3-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[2-[3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;methane?
9-[2-[3-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[2-[3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;methane has a molecular weight of 5101.89 g/mol, XLogP of 90.86, 48 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[2-[3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;methane is sourced from PubChem (CID 163651179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).