7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N,N-diphenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(2,4,6-trimethylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine

C387H274N18S4 — CID 158697485

IUPAC7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N,N-diphenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(2,4,6-trimethylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc4n5-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)cc6)c6nsnc56)cc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc4n5-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)c6nsnc56)cc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc4n5-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)c6nsnc56)cc4)cc3)cc21.Cc1cc(C)c(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6c(C)cc(C)cc6C)cc5)ccc3n4-c3ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)c6cc8ccccc8cc6n7-c6ccc(-c7ccccc7)cc6)cc5)c5ccc(-c6ccc7c(c6)c6cc8ccccc8cc6n7-c6ccc(-c7ccccc7)cc6)cc5)c5nsnc45)cc3)cc2)c(C)c1
InChIInChI=1S/C122H86N6S.C103H72N4S.C84H60N4S.C78H56N4S/c1-75-63-77(3)119(78(4)64-75)90-29-25-85(26-30-90)96-43-58-112-106(69-96)107-70-97(86-27-31-91(32-28-86)120-79(5)65-76(2)66-80(120)6)44-59-113(107)126(112)102-55-41-89(42-56-102)105-57-62-116(122-121(105)123-129-124-122)125(100-47-37-87(38-48-100)98-45-60-114-108(71-98)110-67-92-21-13-15-23-94(92)73-117(110)127(114)103-51-33-83(34-52-103)81-17-9-7-10-18-81)101-49-39-88(40-50-101)99-46-61-115-109(72-99)111-68-93-22-14-16-24-95(93)74-118(111)128(115)104-53-35-84(36-54-104)82-19-11-8-12-20-82;1-101(2)90-29-17-14-26-82(90)85-53-44-73(62-93(85)101)67-36-32-65(33-37-67)71-47-57-96-88(60-71)89-61-72(66-34-38-68(39-35-66)74-45-54-86-83-27-15-18-30-91(83)102(3,4)94(86)63-74)48-58-97(89)107(96)80-51-42-70(43-52-80)81-56-59-98(100-99(81)104-108-105-100)106(78-24-12-7-13-25-78)79-49-40-69(41-50-79)75-46-55-87-84-28-16-19-31-92(84)103(95(87)64-75,76-20-8-5-9-21-76)77-22-10-6-11-23-77;1-83(2)74-21-13-11-19-68(74)70-43-35-62(51-76(70)83)57-27-23-55(24-28-57)60-37-46-78-72(49-60)73-50-61(56-25-29-58(30-26-56)63-36-44-71-69-20-12-14-22-75(69)84(3,4)77(71)52-63)38-47-79(73)88(78)66-41-33-59(34-42-66)67-45-48-80(82-81(67)85-89-86-82)87(64-17-9-6-10-18-64)65-39-31-54(32-40-65)53-15-7-5-8-16-53;1-77(2)68-21-13-11-19-62(68)64-39-33-56(47-70(64)77)51-27-23-49(24-28-51)54-35-42-72-66(45-54)67-46-55(50-25-29-52(30-26-50)57-34-40-65-63-20-12-14-22-69(63)78(3,4)71(65)48-57)36-43-73(67)82(72)60-37-31-53(32-38-60)61-41-44-74(76-75(61)79-83-80-76)81(58-15-7-5-8-16-58)59-17-9-6-10-18-59/h7-74H,1-6H3;5-64H,1-4H3;5-52H,1-4H3;5-48H,1-4H3
InChIKeyIHDBKTREQZNSFT-UHFFFAOYSA-N
MW5304.84 g/mol
LogP104.93
Rot. Bonds46

About 7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N,N-diphenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(2,4,6-trimethylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine

7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N,N-diphenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(2,4,6-trimethylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine (PubChem CID 158697485) has the molecular formula C387H274N18S4 and a molecular weight of 5304.84 g/mol. Its IUPAC name is 7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N,N-diphenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(2,4,6-trimethylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N,N-diphenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(2,4,6-trimethylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine
PubChem CID158697485
Molecular FormulaC387H274N18S4
Molecular Weight5304.84 g/mol
Exact Mass5300.09
IUPAC Name7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N,N-diphenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(2,4,6-trimethylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc4n5-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)cc6)c6nsnc56)cc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc4n5-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)c6nsnc56)cc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc4n5-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)c6nsnc56)cc4)cc3)cc21.Cc1cc(C)c(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6c(C)cc(C)cc6C)cc5)ccc3n4-c3ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)c6cc8ccccc8cc6n7-c6ccc(-c7ccccc7)cc6)cc5)c5ccc(-c6ccc7c(c6)c6cc8ccccc8cc6n7-c6ccc(-c7ccccc7)cc6)cc5)c5nsnc45)cc3)cc2)c(C)c1
InChIInChI=1S/C122H86N6S.C103H72N4S.C84H60N4S.C78H56N4S/c1-75-63-77(3)119(78(4)64-75)90-29-25-85(26-30-90)96-43-58-112-106(69-96)107-70-97(86-27-31-91(32-28-86)120-79(5)65-76(2)66-80(120)6)44-59-113(107)126(112)102-55-41-89(42-56-102)105-57-62-116(122-121(105)123-129-124-122)125(100-47-37-87(38-48-100)98-45-60-114-108(71-98)110-67-92-21-13-15-23-94(92)73-117(110)127(114)103-51-33-83(34-52-103)81-17-9-7-10-18-81)101-49-39-88(40-50-101)99-46-61-115-109(72-99)111-68-93-22-14-16-24-95(93)74-118(111)128(115)104-53-35-84(36-54-104)82-19-11-8-12-20-82;1-101(2)90-29-17-14-26-82(90)85-53-44-73(62-93(85)101)67-36-32-65(33-37-67)71-47-57-96-88(60-71)89-61-72(66-34-38-68(39-35-66)74-45-54-86-83-27-15-18-30-91(83)102(3,4)94(86)63-74)48-58-97(89)107(96)80-51-42-70(43-52-80)81-56-59-98(100-99(81)104-108-105-100)106(78-24-12-7-13-25-78)79-49-40-69(41-50-79)75-46-55-87-84-28-16-19-31-92(84)103(95(87)64-75,76-20-8-5-9-21-76)77-22-10-6-11-23-77;1-83(2)74-21-13-11-19-68(74)70-43-35-62(51-76(70)83)57-27-23-55(24-28-57)60-37-46-78-72(49-60)73-50-61(56-25-29-58(30-26-56)63-36-44-71-69-20-12-14-22-75(69)84(3,4)77(71)52-63)38-47-79(73)88(78)66-41-33-59(34-42-66)67-45-48-80(82-81(67)85-89-86-82)87(64-17-9-6-10-18-64)65-39-31-54(32-40-65)53-15-7-5-8-16-53;1-77(2)68-21-13-11-19-62(68)64-39-33-56(47-70(64)77)51-27-23-49(24-28-51)54-35-42-72-66(45-54)67-46-55(50-25-29-52(30-26-50)57-34-40-65-63-20-12-14-22-69(63)78(3,4)71(65)48-57)36-43-73(67)82(72)60-37-31-53(32-38-60)61-41-44-74(76-75(61)79-83-80-76)81(58-15-7-5-8-16-58)59-17-9-6-10-18-59/h7-74H,1-6H3;5-64H,1-4H3;5-52H,1-4H3;5-48H,1-4H3
InChIKeyIHDBKTREQZNSFT-UHFFFAOYSA-N
XLogP104.93
TPSA145.66 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds46
Heavy Atoms409
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005304.84
LogP ≤ 5104.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N,N-diphenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(2,4,6-trimethylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine with MolForge

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Related Compounds

7-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]phenyl]-N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine
CID 157318920
7-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)-N-[4-(2,4,6-trifluorophenyl)phenyl]-2,1,3-benzothiadiazol-4-amine
CID 157467778
7-[4-[3,6-bis[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazol-9-yl]phenyl]-N-[4-(4-methoxyphenyl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine
CID 155617443
7-[4-[3,6-bis(4-methoxyphenyl)carbazol-9-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 155136128
N-phenyl-N-[3-[4-(N-phenylanilino)phenyl]phenyl]-7-[4-[2-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-c]carbazol-5-yl]phenyl]-2,1,3-benzothiadiazol-4-amine
CID 146251176
7-(4-benzo[b]carbazol-5-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 155135962
N,9,9-triphenyl-N-[4-(5-phenylbenzo[b]carbazol-2-yl)phenyl]fluoren-2-amine
CID 139573020
N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-7-(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazol-4-amine;N-[4-(4-tert-butylphenyl)phenyl]-7-(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N,N-diphenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 160747224
9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 157367857
9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-naphthalen-2-yl-9,9-diphenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159373859
7-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 155135956
N,9-diphenyl-N-[6-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-2-yl]carbazol-2-amine;N-naphthalen-2-yl-9-phenyl-N-[6-[2,3,5,6-tetradeuterio-4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-2-yl]carbazol-2-amine;9-phenyl-N-(2-phenylphenyl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-2-yl]carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-2-yl]carbazol-2-amine
CID 163578353

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N,N-diphenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(2,4,6-trimethylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N,N-diphenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(2,4,6-trimethylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine (CID 158697485) is 7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N,N-diphenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(2,4,6-trimethylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N,N-diphenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(2,4,6-trimethylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N,N-diphenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(2,4,6-trimethylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc4n5-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)cc6)c6nsnc56)cc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc4n5-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)c6nsnc56)cc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc4n5-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)c6nsnc56)cc4)cc3)cc21.Cc1cc(C)c(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6c(C)cc(C)cc6C)cc5)ccc3n4-c3ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)c6cc8ccccc8cc6n7-c6ccc(-c7ccccc7)cc6)cc5)c5ccc(-c6ccc7c(c6)c6cc8ccccc8cc6n7-c6ccc(-c7ccccc7)cc6)cc5)c5nsnc45)cc3)cc2)c(C)c1.
What is the InChIKey of 7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N,N-diphenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(2,4,6-trimethylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine?
The InChIKey is IHDBKTREQZNSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H86N6S.C103H72N4S.C84H60N4S.C78H56N4S/c1-75-63-77(3)119(78(4)64-75)90-29-25-85(26-30-90)96-43-58-112-106(69-96)107-70-97(86-27-31-91(32-28-86)120-79(5)65-76(2)66-80(120)6)44-59-113(107)126(112)102-55-41-89(42-56-102)105-57-62-116(122-121(105)123-129-124-122)125(100-47-37-87(38-48-100)98-45-60-114-108(71-98)110-67-92-21-13-15-23-94(92)73-117(110)127(114)103-51-33-83(34-52-103)81-17-9-7-10-18-81)101-49-39-88(40-50-101)99-46-61-115-109(72-99)111-68-93-22-14-16-24-95(93)74-118(111)128(115)104-53-35-84(36-54-104)82-19-11-8-12-20-82;1-101(2)90-29-17-14-26-82(90)85-53-44-73(62-93(85)101)67-36-32-65(33-37-67)71-47-57-96-88(60-71)89-61-72(66-34-38-68(39-35-66)74-45-54-86-83-27-15-18-30-91(83)102(3,4)94(86)63-74)48-58-97(89)107(96)80-51-42-70(43-52-80)81-56-59-98(100-99(81)104-108-105-100)106(78-24-12-7-13-25-78)79-49-40-69(41-50-79)75-46-55-87-84-28-16-19-31-92(84)103(95(87)64-75,76-20-8-5-9-21-76)77-22-10-6-11-23-77;1-83(2)74-21-13-11-19-68(74)70-43-35-62(51-76(70)83)57-27-23-55(24-28-57)60-37-46-78-72(49-60)73-50-61(56-25-29-58(30-26-56)63-36-44-71-69-20-12-14-22-75(69)84(3,4)77(71)52-63)38-47-79(73)88(78)66-41-33-59(34-42-66)67-45-48-80(82-81(67)85-89-86-82)87(64-17-9-6-10-18-64)65-39-31-54(32-40-65)53-15-7-5-8-16-53;1-77(2)68-21-13-11-19-62(68)64-39-33-56(47-70(64)77)51-27-23-49(24-28-51)54-35-42-72-66(45-54)67-46-55(50-25-29-52(30-26-50)57-34-40-65-63-20-12-14-22-69(63)78(3,4)71(65)48-57)36-43-73(67)82(72)60-37-31-53(32-38-60)61-41-44-74(76-75(61)79-83-80-76)81(58-15-7-5-8-16-58)59-17-9-6-10-18-59/h7-74H,1-6H3;5-64H,1-4H3;5-52H,1-4H3;5-48H,1-4H3.
What are the key properties of 7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N,N-diphenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(2,4,6-trimethylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine?
7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N,N-diphenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(2,4,6-trimethylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine has a molecular weight of 5304.84 g/mol, XLogP of 104.93, 46 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N,N-diphenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-9-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis[4-(2,4,6-trimethylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 158697485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).