9-[6-[3-[3,5-bis(2,5-dimethylphenyl)phenyl]phenyl]-1-benzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;N-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-N-phenylindeno[2,1-b]carbazol-2-amine;5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

C335H237N21O2S — CID 159278204

IUPAC9-[6-[3-[3,5-bis(2,5-dimethylphenyl)phenyl]phenyl]-1-benzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;N-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-N-phenylindeno[2,1-b]carbazol-2-amine;5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)n5)ccc4n(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)c5)n4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc(N(c5ccccc5)c5cccc(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)c5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.COc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2ccc3c4ccc(-c5cc(OC)cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)cc4n(-c4ccc5c(c4)c4cc6c(cc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)C(C)(C)c4ccccc4-6)c3c2)c1.Cc1ccc(C)c(-c2cc(-c3cccc(-c4ccc5cc(-c6ccc7c(c6)C(C)(C)c6cc8c(cc6-7)c6ccccc6n8-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)sc5c4)c3)cc(-c3cc(C)ccc3C)c2)c1
InChIInChI=1S/C98H69N5O2.C93H63N7.C72H51N5.C72H54N4S/c1-98(2)89-38-24-23-37-83(89)86-60-88-87-59-80(41-44-91(87)103(94(88)61-90(86)98)97-100-95(66-33-19-9-20-34-66)99-96(101-97)67-35-21-10-22-36-67)102-92-57-68(76-51-78(55-81(53-76)104-3)74-47-70(62-25-11-5-12-26-62)45-71(48-74)63-27-13-6-14-28-63)39-42-84(92)85-43-40-69(58-93(85)102)77-52-79(56-82(54-77)105-4)75-49-72(64-29-15-7-16-30-64)46-73(50-75)65-31-17-8-18-32-65;1-93(2)83-45-22-21-44-79(83)80-58-82-81-57-72(90-95-87(64-34-17-7-18-35-64)94-89(97-90)70-42-25-41-69(50-70)78-55-75(62-30-13-5-14-31-62)52-76(56-78)63-32-15-6-16-33-63)46-47-85(81)100(86(82)59-84(80)93)92-98-88(65-36-19-8-20-37-65)96-91(99-92)71-43-24-39-67(49-71)66-38-23-40-68(48-66)77-53-73(60-26-9-3-10-27-60)51-74(54-77)61-28-11-4-12-29-61;1-72(2)65-37-19-18-36-61(65)62-46-64-63-45-60(38-39-67(63)77(68(64)47-66(62)72)71-74-69(50-26-12-5-13-27-50)73-70(75-71)51-28-14-6-15-29-51)76(58-33-16-7-17-34-58)59-35-21-32-54(44-59)52-30-20-31-53(40-52)57-42-55(48-22-8-3-9-23-48)41-56(43-57)49-24-10-4-11-25-49;1-43-24-26-45(3)59(32-43)55-35-54(36-56(37-55)60-33-44(2)25-27-46(60)4)50-21-15-20-49(34-50)51-28-29-53-40-68(77-67(53)39-51)52-30-31-57-61-41-62-58-22-13-14-23-65(58)76(66(62)42-64(61)72(5,6)63(57)38-52)71-74-69(47-16-9-7-10-17-47)73-70(75-71)48-18-11-8-12-19-48/h5-61H,1-4H3;3-59H,1-2H3;3-47H,1-2H3;7-42H,1-6H3
InChIKeyKYOROKPOKNOTEY-UHFFFAOYSA-N
MW4620.79 g/mol
LogP86.66
Rot. Bonds45

About 9-[6-[3-[3,5-bis(2,5-dimethylphenyl)phenyl]phenyl]-1-benzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;N-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-N-phenylindeno[2,1-b]carbazol-2-amine;5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

9-[6-[3-[3,5-bis(2,5-dimethylphenyl)phenyl]phenyl]-1-benzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;N-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-N-phenylindeno[2,1-b]carbazol-2-amine;5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 159278204) has the molecular formula C335H237N21O2S and a molecular weight of 4620.79 g/mol. Its IUPAC name is 9-[6-[3-[3,5-bis(2,5-dimethylphenyl)phenyl]phenyl]-1-benzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;N-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-N-phenylindeno[2,1-b]carbazol-2-amine;5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name9-[6-[3-[3,5-bis(2,5-dimethylphenyl)phenyl]phenyl]-1-benzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;N-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-N-phenylindeno[2,1-b]carbazol-2-amine;5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID159278204
Molecular FormulaC335H237N21O2S
Molecular Weight4620.79 g/mol
Exact Mass4616.88
IUPAC Name9-[6-[3-[3,5-bis(2,5-dimethylphenyl)phenyl]phenyl]-1-benzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;N-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-N-phenylindeno[2,1-b]carbazol-2-amine;5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)n5)ccc4n(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)c5)n4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc(N(c5ccccc5)c5cccc(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)c5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.COc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2ccc3c4ccc(-c5cc(OC)cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)cc4n(-c4ccc5c(c4)c4cc6c(cc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)C(C)(C)c4ccccc4-6)c3c2)c1.Cc1ccc(C)c(-c2cc(-c3cccc(-c4ccc5cc(-c6ccc7c(c6)C(C)(C)c6cc8c(cc6-7)c6ccccc6n8-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)sc5c4)c3)cc(-c3cc(C)ccc3C)c2)c1
InChIInChI=1S/C98H69N5O2.C93H63N7.C72H51N5.C72H54N4S/c1-98(2)89-38-24-23-37-83(89)86-60-88-87-59-80(41-44-91(87)103(94(88)61-90(86)98)97-100-95(66-33-19-9-20-34-66)99-96(101-97)67-35-21-10-22-36-67)102-92-57-68(76-51-78(55-81(53-76)104-3)74-47-70(62-25-11-5-12-26-62)45-71(48-74)63-27-13-6-14-28-63)39-42-84(92)85-43-40-69(58-93(85)102)77-52-79(56-82(54-77)105-4)75-49-72(64-29-15-7-16-30-64)46-73(50-75)65-31-17-8-18-32-65;1-93(2)83-45-22-21-44-79(83)80-58-82-81-57-72(90-95-87(64-34-17-7-18-35-64)94-89(97-90)70-42-25-41-69(50-70)78-55-75(62-30-13-5-14-31-62)52-76(56-78)63-32-15-6-16-33-63)46-47-85(81)100(86(82)59-84(80)93)92-98-88(65-36-19-8-20-37-65)96-91(99-92)71-43-24-39-67(49-71)66-38-23-40-68(48-66)77-53-73(60-26-9-3-10-27-60)51-74(54-77)61-28-11-4-12-29-61;1-72(2)65-37-19-18-36-61(65)62-46-64-63-45-60(38-39-67(63)77(68(64)47-66(62)72)71-74-69(50-26-12-5-13-27-50)73-70(75-71)51-28-14-6-15-29-51)76(58-33-16-7-17-34-58)59-35-21-32-54(44-59)52-30-20-31-53(40-52)57-42-55(48-22-8-3-9-23-48)41-56(43-57)49-24-10-4-11-25-49;1-43-24-26-45(3)59(32-43)55-35-54(36-56(37-55)60-33-44(2)25-27-46(60)4)50-21-15-20-49(34-50)51-28-29-53-40-68(77-67(53)39-51)52-30-31-57-61-41-62-58-22-13-14-23-65(58)76(66(62)42-64(61)72(5,6)63(57)38-52)71-74-69(47-16-9-7-10-17-47)73-70(75-71)48-18-11-8-12-19-48/h5-61H,1-4H3;3-59H,1-2H3;3-47H,1-2H3;7-42H,1-6H3
InChIKeyKYOROKPOKNOTEY-UHFFFAOYSA-N
XLogP86.66
TPSA239.70 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds45
Heavy Atoms359
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004620.79
LogP ≤ 586.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 9-[6-[3-[3,5-bis(2,5-dimethylphenyl)phenyl]phenyl]-1-benzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;N-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-N-phenylindeno[2,1-b]carbazol-2-amine;5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole with MolForge

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Related Compounds

9-[6-[3-[3,5-bis(2,5-dimethylphenyl)phenyl]phenyl]-1-benzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 157372333
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;9-[2-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-3-[3-(3,5-diphenylphenyl)phenyl]carbazole
CID 158897511
N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine;N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)-7-phenylcarbazol-3-yl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 159079449
N-[3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90185797
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole
CID 137401866
3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 90185823
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159306197
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole
CID 160549549
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852
5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 159343293
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66804832

Frequently Asked Questions

What is the IUPAC name of 9-[6-[3-[3,5-bis(2,5-dimethylphenyl)phenyl]phenyl]-1-benzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;N-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-N-phenylindeno[2,1-b]carbazol-2-amine;5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 9-[6-[3-[3,5-bis(2,5-dimethylphenyl)phenyl]phenyl]-1-benzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;N-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-N-phenylindeno[2,1-b]carbazol-2-amine;5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 159278204) is 9-[6-[3-[3,5-bis(2,5-dimethylphenyl)phenyl]phenyl]-1-benzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;N-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-N-phenylindeno[2,1-b]carbazol-2-amine;5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 9-[6-[3-[3,5-bis(2,5-dimethylphenyl)phenyl]phenyl]-1-benzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;N-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-N-phenylindeno[2,1-b]carbazol-2-amine;5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 9-[6-[3-[3,5-bis(2,5-dimethylphenyl)phenyl]phenyl]-1-benzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;N-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-N-phenylindeno[2,1-b]carbazol-2-amine;5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)n5)ccc4n(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)c5)n4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc(N(c5ccccc5)c5cccc(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)c5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.COc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2ccc3c4ccc(-c5cc(OC)cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)cc4n(-c4ccc5c(c4)c4cc6c(cc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)C(C)(C)c4ccccc4-6)c3c2)c1.Cc1ccc(C)c(-c2cc(-c3cccc(-c4ccc5cc(-c6ccc7c(c6)C(C)(C)c6cc8c(cc6-7)c6ccccc6n8-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)sc5c4)c3)cc(-c3cc(C)ccc3C)c2)c1.
What is the InChIKey of 9-[6-[3-[3,5-bis(2,5-dimethylphenyl)phenyl]phenyl]-1-benzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;N-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-N-phenylindeno[2,1-b]carbazol-2-amine;5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is KYOROKPOKNOTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H69N5O2.C93H63N7.C72H51N5.C72H54N4S/c1-98(2)89-38-24-23-37-83(89)86-60-88-87-59-80(41-44-91(87)103(94(88)61-90(86)98)97-100-95(66-33-19-9-20-34-66)99-96(101-97)67-35-21-10-22-36-67)102-92-57-68(76-51-78(55-81(53-76)104-3)74-47-70(62-25-11-5-12-26-62)45-71(48-74)63-27-13-6-14-28-63)39-42-84(92)85-43-40-69(58-93(85)102)77-52-79(56-82(54-77)105-4)75-49-72(64-29-15-7-16-30-64)46-73(50-75)65-31-17-8-18-32-65;1-93(2)83-45-22-21-44-79(83)80-58-82-81-57-72(90-95-87(64-34-17-7-18-35-64)94-89(97-90)70-42-25-41-69(50-70)78-55-75(62-30-13-5-14-31-62)52-76(56-78)63-32-15-6-16-33-63)46-47-85(81)100(86(82)59-84(80)93)92-98-88(65-36-19-8-20-37-65)96-91(99-92)71-43-24-39-67(49-71)66-38-23-40-68(48-66)77-53-73(60-26-9-3-10-27-60)51-74(54-77)61-28-11-4-12-29-61;1-72(2)65-37-19-18-36-61(65)62-46-64-63-45-60(38-39-67(63)77(68(64)47-66(62)72)71-74-69(50-26-12-5-13-27-50)73-70(75-71)51-28-14-6-15-29-51)76(58-33-16-7-17-34-58)59-35-21-32-54(44-59)52-30-20-31-53(40-52)57-42-55(48-22-8-3-9-23-48)41-56(43-57)49-24-10-4-11-25-49;1-43-24-26-45(3)59(32-43)55-35-54(36-56(37-55)60-33-44(2)25-27-46(60)4)50-21-15-20-49(34-50)51-28-29-53-40-68(77-67(53)39-51)52-30-31-57-61-41-62-58-22-13-14-23-65(58)76(66(62)42-64(61)72(5,6)63(57)38-52)71-74-69(47-16-9-7-10-17-47)73-70(75-71)48-18-11-8-12-19-48/h5-61H,1-4H3;3-59H,1-2H3;3-47H,1-2H3;7-42H,1-6H3.
What are the key properties of 9-[6-[3-[3,5-bis(2,5-dimethylphenyl)phenyl]phenyl]-1-benzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;N-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-N-phenylindeno[2,1-b]carbazol-2-amine;5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
9-[6-[3-[3,5-bis(2,5-dimethylphenyl)phenyl]phenyl]-1-benzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;N-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-N-phenylindeno[2,1-b]carbazol-2-amine;5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 4620.79 g/mol, XLogP of 86.66, 45 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[3-[3,5-bis(2,5-dimethylphenyl)phenyl]phenyl]-1-benzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-[2,7-bis[3-(3,5-diphenylphenyl)-5-methoxyphenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;N-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-N-phenylindeno[2,1-b]carbazol-2-amine;5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 159278204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).