2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;2-N'-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-2-N'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',3-diamine;1-N-naphthalen-1-yl-1-N,2-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1,2'-diamine;3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(3-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;4-N-naphthalen-1-yl-2-N',2-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine;4-N-naphthalen-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine

C359H236N12S6 — CID 161041581

IUPAC2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;2-N'-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-2-N'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',3-diamine;1-N-naphthalen-1-yl-1-N,2-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1,2'-diamine;3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(3-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;4-N-naphthalen-1-yl-2-N',2-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine;4-N-naphthalen-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5cc(N(c6ccccc6)c6ccccc6)ccc53)c3c-4sc4ccccc34)c3ccccc3-c3ccccc3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5cccc(N(c6ccccc6)c6cccc7ccccc67)c53)c3c-4sc4ccccc34)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4-c4sc5ccccc5c43)c2)cc1.c1ccc(N(c2ccc3ccccc3c2)c2cccc3c2-c2ccccc2C32c3cccc(N(c4ccccc4)c4ccccc4)c3-c3sc4ccccc4c32)cc1.c1ccc(N(c2cccc3c2-c2sc4ccccc4c2C32c3ccccc3-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc32)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4c(N(c5ccccc5)c5cccc6ccccc56)cccc42)c2c-3sc3ccccc23)cc1
InChIInChI=1S/C66H46N2S.C61H38N2S.2C61H40N2S.2C55H36N2S/c1-65(2)56-30-16-12-27-50(56)52-37-34-47(41-59(52)65)68(61-32-18-14-26-49(61)43-20-6-3-7-21-43)48-35-38-53-60(42-48)66(63-54-29-15-19-33-62(54)69-64(53)63)57-31-17-13-28-51(57)55-40-46(36-39-58(55)66)67(44-22-8-4-9-23-44)45-24-10-5-11-25-45;1-2-18-42(19-3-1)63(53-29-14-17-40-16-4-5-20-44(40)53)56-30-15-26-51-58(56)60-59(49-24-9-13-31-57(49)64-60)61(51)50-25-10-6-21-45(50)46-37-34-41(38-52(46)61)39-32-35-43(36-33-39)62-54-27-11-7-22-47(54)48-23-8-12-28-55(48)62;1-4-19-41(20-5-1)43-23-16-28-46(39-43)63(45-26-8-3-9-27-45)56-35-18-33-54-58(56)49-30-12-14-32-52(49)61(54)53-38-37-47(40-51(53)60-59(61)50-31-13-15-36-57(50)64-60)62(44-24-6-2-7-25-44)55-34-17-22-42-21-10-11-29-48(42)55;1-4-18-41(19-5-1)42-34-36-46(37-35-42)62(44-22-6-2-7-23-44)47-38-39-51-54(40-47)61(59-52-28-13-15-33-57(52)64-60(51)59)53-30-14-12-27-49(53)50-29-17-32-56(58(50)61)63(45-24-8-3-9-25-45)55-31-16-21-43-20-10-11-26-48(43)55;1-4-20-38(21-5-1)56(39-22-6-2-7-23-39)41-34-35-44-48(36-41)55(53-45-28-13-15-33-51(45)58-54(44)53)46-29-14-12-27-43(46)52-47(55)30-17-32-50(52)57(40-24-8-3-9-25-40)49-31-16-19-37-18-10-11-26-42(37)49;1-4-20-39(21-5-1)56(40-22-6-2-7-23-40)49-32-17-30-47-52(49)54-53(44-27-13-15-33-50(44)58-54)55(47)45-28-14-12-26-43(45)51-46(55)29-16-31-48(51)57(41-24-8-3-9-25-41)42-35-34-37-18-10-11-19-38(37)36-42/h3-42H,1-2H3;1-38H;2*1-40H;2*1-36H
InChIKeyUAYKAMLJCNLHKZ-UHFFFAOYSA-N
MW4910.32 g/mol
LogP99.47
Rot. Bonds38

About 2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;2-N'-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-2-N'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',3-diamine;1-N-naphthalen-1-yl-1-N,2-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1,2'-diamine;3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(3-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;4-N-naphthalen-1-yl-2-N',2-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine;4-N-naphthalen-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine

2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;2-N'-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-2-N'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',3-diamine;1-N-naphthalen-1-yl-1-N,2-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1,2'-diamine;3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(3-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;4-N-naphthalen-1-yl-2-N',2-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine;4-N-naphthalen-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine (PubChem CID 161041581) has the molecular formula C359H236N12S6 and a molecular weight of 4910.32 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;2-N'-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-2-N'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',3-diamine;1-N-naphthalen-1-yl-1-N,2-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1,2'-diamine;3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(3-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;4-N-naphthalen-1-yl-2-N',2-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine;4-N-naphthalen-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;2-N'-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-2-N'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',3-diamine;1-N-naphthalen-1-yl-1-N,2-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1,2'-diamine;3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(3-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;4-N-naphthalen-1-yl-2-N',2-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine;4-N-naphthalen-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine
PubChem CID161041581
Molecular FormulaC359H236N12S6
Molecular Weight4910.32 g/mol
Exact Mass4905.72
IUPAC Name2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;2-N'-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-2-N'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',3-diamine;1-N-naphthalen-1-yl-1-N,2-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1,2'-diamine;3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(3-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;4-N-naphthalen-1-yl-2-N',2-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine;4-N-naphthalen-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5cc(N(c6ccccc6)c6ccccc6)ccc53)c3c-4sc4ccccc34)c3ccccc3-c3ccccc3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5cccc(N(c6ccccc6)c6cccc7ccccc67)c53)c3c-4sc4ccccc34)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4-c4sc5ccccc5c43)c2)cc1.c1ccc(N(c2ccc3ccccc3c2)c2cccc3c2-c2ccccc2C32c3cccc(N(c4ccccc4)c4ccccc4)c3-c3sc4ccccc4c32)cc1.c1ccc(N(c2cccc3c2-c2sc4ccccc4c2C32c3ccccc3-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc32)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4c(N(c5ccccc5)c5cccc6ccccc56)cccc42)c2c-3sc3ccccc23)cc1
InChIInChI=1S/C66H46N2S.C61H38N2S.2C61H40N2S.2C55H36N2S/c1-65(2)56-30-16-12-27-50(56)52-37-34-47(41-59(52)65)68(61-32-18-14-26-49(61)43-20-6-3-7-21-43)48-35-38-53-60(42-48)66(63-54-29-15-19-33-62(54)69-64(53)63)57-31-17-13-28-51(57)55-40-46(36-39-58(55)66)67(44-22-8-4-9-23-44)45-24-10-5-11-25-45;1-2-18-42(19-3-1)63(53-29-14-17-40-16-4-5-20-44(40)53)56-30-15-26-51-58(56)60-59(49-24-9-13-31-57(49)64-60)61(51)50-25-10-6-21-45(50)46-37-34-41(38-52(46)61)39-32-35-43(36-33-39)62-54-27-11-7-22-47(54)48-23-8-12-28-55(48)62;1-4-19-41(20-5-1)43-23-16-28-46(39-43)63(45-26-8-3-9-27-45)56-35-18-33-54-58(56)49-30-12-14-32-52(49)61(54)53-38-37-47(40-51(53)60-59(61)50-31-13-15-36-57(50)64-60)62(44-24-6-2-7-25-44)55-34-17-22-42-21-10-11-29-48(42)55;1-4-18-41(19-5-1)42-34-36-46(37-35-42)62(44-22-6-2-7-23-44)47-38-39-51-54(40-47)61(59-52-28-13-15-33-57(52)64-60(51)59)53-30-14-12-27-49(53)50-29-17-32-56(58(50)61)63(45-24-8-3-9-25-45)55-31-16-21-43-20-10-11-26-48(43)55;1-4-20-38(21-5-1)56(39-22-6-2-7-23-39)41-34-35-44-48(36-41)55(53-45-28-13-15-33-51(45)58-54(44)53)46-29-14-12-27-43(46)52-47(55)30-17-32-50(52)57(40-24-8-3-9-25-40)49-31-16-19-37-18-10-11-26-42(37)49;1-4-20-39(21-5-1)56(40-22-6-2-7-23-40)49-32-17-30-47-52(49)54-53(44-27-13-15-33-50(44)58-54)55(47)45-28-14-12-26-43(45)51-46(55)29-16-31-48(51)57(41-24-8-3-9-25-41)42-35-34-37-18-10-11-19-38(37)36-42/h3-42H,1-2H3;1-38H;2*1-40H;2*1-36H
InChIKeyUAYKAMLJCNLHKZ-UHFFFAOYSA-N
XLogP99.47
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds38
Heavy Atoms377
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004910.32
LogP ≤ 599.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;2-N'-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-2-N'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',3-diamine;1-N-naphthalen-1-yl-1-N,2-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1,2'-diamine;3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(3-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;4-N-naphthalen-1-yl-2-N',2-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine;4-N-naphthalen-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;2-N'-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-2-N'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',3-diamine;1-N-naphthalen-1-yl-1-N,2-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1,2'-diamine;3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(3-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;4-N-naphthalen-1-yl-2-N',2-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine;4-N-naphthalen-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;2-N'-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-2-N'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',3-diamine;1-N-naphthalen-1-yl-1-N,2-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1,2'-diamine;3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(3-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;4-N-naphthalen-1-yl-2-N',2-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine;4-N-naphthalen-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine (CID 161041581) is 2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;2-N'-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-2-N'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',3-diamine;1-N-naphthalen-1-yl-1-N,2-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1,2'-diamine;3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(3-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;4-N-naphthalen-1-yl-2-N',2-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine;4-N-naphthalen-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;2-N'-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-2-N'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',3-diamine;1-N-naphthalen-1-yl-1-N,2-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1,2'-diamine;3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(3-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;4-N-naphthalen-1-yl-2-N',2-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine;4-N-naphthalen-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;2-N'-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-2-N'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',3-diamine;1-N-naphthalen-1-yl-1-N,2-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1,2'-diamine;3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(3-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;4-N-naphthalen-1-yl-2-N',2-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine;4-N-naphthalen-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5cc(N(c6ccccc6)c6ccccc6)ccc53)c3c-4sc4ccccc34)c3ccccc3-c3ccccc3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5cccc(N(c6ccccc6)c6cccc7ccccc67)c53)c3c-4sc4ccccc34)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4-c4sc5ccccc5c43)c2)cc1.c1ccc(N(c2ccc3ccccc3c2)c2cccc3c2-c2ccccc2C32c3cccc(N(c4ccccc4)c4ccccc4)c3-c3sc4ccccc4c32)cc1.c1ccc(N(c2cccc3c2-c2sc4ccccc4c2C32c3ccccc3-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc32)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4c(N(c5ccccc5)c5cccc6ccccc56)cccc42)c2c-3sc3ccccc23)cc1.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;2-N'-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-2-N'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',3-diamine;1-N-naphthalen-1-yl-1-N,2-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1,2'-diamine;3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(3-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;4-N-naphthalen-1-yl-2-N',2-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine;4-N-naphthalen-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine?
The InChIKey is UAYKAMLJCNLHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2S.C61H38N2S.2C61H40N2S.2C55H36N2S/c1-65(2)56-30-16-12-27-50(56)52-37-34-47(41-59(52)65)68(61-32-18-14-26-49(61)43-20-6-3-7-21-43)48-35-38-53-60(42-48)66(63-54-29-15-19-33-62(54)69-64(53)63)57-31-17-13-28-51(57)55-40-46(36-39-58(55)66)67(44-22-8-4-9-23-44)45-24-10-5-11-25-45;1-2-18-42(19-3-1)63(53-29-14-17-40-16-4-5-20-44(40)53)56-30-15-26-51-58(56)60-59(49-24-9-13-31-57(49)64-60)61(51)50-25-10-6-21-45(50)46-37-34-41(38-52(46)61)39-32-35-43(36-33-39)62-54-27-11-7-22-47(54)48-23-8-12-28-55(48)62;1-4-19-41(20-5-1)43-23-16-28-46(39-43)63(45-26-8-3-9-27-45)56-35-18-33-54-58(56)49-30-12-14-32-52(49)61(54)53-38-37-47(40-51(53)60-59(61)50-31-13-15-36-57(50)64-60)62(44-24-6-2-7-25-44)55-34-17-22-42-21-10-11-29-48(42)55;1-4-18-41(19-5-1)42-34-36-46(37-35-42)62(44-22-6-2-7-23-44)47-38-39-51-54(40-47)61(59-52-28-13-15-33-57(52)64-60(51)59)53-30-14-12-27-49(53)50-29-17-32-56(58(50)61)63(45-24-8-3-9-25-45)55-31-16-21-43-20-10-11-26-48(43)55;1-4-20-38(21-5-1)56(39-22-6-2-7-23-39)41-34-35-44-48(36-41)55(53-45-28-13-15-33-51(45)58-54(44)53)46-29-14-12-27-43(46)52-47(55)30-17-32-50(52)57(40-24-8-3-9-25-40)49-31-16-19-37-18-10-11-26-42(37)49;1-4-20-39(21-5-1)56(40-22-6-2-7-23-40)49-32-17-30-47-52(49)54-53(44-27-13-15-33-50(44)58-54)55(47)45-28-14-12-26-43(45)51-46(55)29-16-31-48(51)57(41-24-8-3-9-25-41)42-35-34-37-18-10-11-19-38(37)36-42/h3-42H,1-2H3;1-38H;2*1-40H;2*1-36H.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;2-N'-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-2-N'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',3-diamine;1-N-naphthalen-1-yl-1-N,2-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1,2'-diamine;3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(3-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;4-N-naphthalen-1-yl-2-N',2-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine;4-N-naphthalen-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine?
2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;2-N'-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-2-N'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',3-diamine;1-N-naphthalen-1-yl-1-N,2-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1,2'-diamine;3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(3-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;4-N-naphthalen-1-yl-2-N',2-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine;4-N-naphthalen-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine has a molecular weight of 4910.32 g/mol, XLogP of 99.47, 38 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;2-N'-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-2-N'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',3-diamine;1-N-naphthalen-1-yl-1-N,2-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1,2'-diamine;3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(3-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;4-N-naphthalen-1-yl-2-N',2-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine;4-N-naphthalen-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine is sourced from PubChem (CID 161041581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).