3-N',4-N-bis(9,9-dimethylfluoren-2-yl)-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;1-N',1-N'-diphenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1',4-diamine;4-N,4-N-diphenyl-4-N'-(2-phenylphenyl)-4-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine

C195H134N6S3 — CID 159265460

About 3-N',4-N-bis(9,9-dimethylfluoren-2-yl)-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;1-N',1-N'-diphenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1',4-diamine;4-N,4-N-diphenyl-4-N'-(2-phenylphenyl)-4-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine

3-N',4-N-bis(9,9-dimethylfluoren-2-yl)-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;1-N',1-N'-diphenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1',4-diamine;4-N,4-N-diphenyl-4-N'-(2-phenylphenyl)-4-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine (PubChem CID 159265460) has the molecular formula C195H134N6S3 and a molecular weight of 2657.46 g/mol. Its IUPAC name is 3-N',4-N-bis(9,9-dimethylfluoren-2-yl)-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;1-N',1-N'-diphenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1',4-diamine;4-N,4-N-diphenyl-4-N'-(2-phenylphenyl)-4-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine.

Molecular Properties

• Compound Name: 3-N',4-N-bis(9,9-dimethylfluoren-2-yl)-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;1-N',1-N'-diphenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1',4-diamine;4-N,4-N-diphenyl-4-N'-(2-phenylphenyl)-4-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine
• PubChem CID: 159265460
• Molecular Formula: C195H134N6S3
• Molecular Weight: 2657.46 g/mol
• Exact Mass: 2654.98
• IUPAC Name: 3-N',4-N-bis(9,9-dimethylfluoren-2-yl)-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;1-N',1-N'-diphenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1',4-diamine;4-N,4-N-diphenyl-4-N'-(2-phenylphenyl)-4-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3sc5ccccc5c3C43c4ccccc4-c4c(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cccc43)cc21.c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3-c3ccccc3C43c4c(cccc4N(c4ccccc4)c4ccccc4)-c4sc5ccccc5c43)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3-c3sc5ccccc5c3C43c4ccccc4-c4c(N(c5ccccc5)c5ccccc5)cccc43)cc2)cc1
• InChI: InChI=1S/C69H50N2S.2C63H42N2S/c1-67(2)55-28-15-11-24-48(55)50-37-34-46(41-60(50)67)70(43-20-7-5-8-21-43)45-36-39-58-54(40-45)66-65(53-27-14-18-33-63(53)72-66)69(58)57-30-17-13-26-52(57)64-59(69)31-19-32-62(64)71(44-22-9-6-10-23-44)47-35-38-51-49-25-12-16-29-56(49)68(3,4)61(51)42-47;1-5-21-43(22-6-1)44-39-41-48(42-40-44)65(55-35-17-14-29-49(55)45-23-7-2-8-24-45)56-36-20-34-54-59(56)50-30-13-16-33-53(50)63(54)60-52(62-61(63)51-31-15-18-38-58(51)66-62)32-19-37-57(60)64(46-25-9-3-10-26-46)47-27-11-4-12-28-47;1-5-21-43(22-6-1)44-39-41-48(42-40-44)65(55-35-17-14-29-49(55)45-23-7-2-8-24-45)57-37-20-34-54-60(57)62-61(51-31-15-18-38-58(51)66-62)63(54)52-32-16-13-30-50(52)59-53(63)33-19-36-56(59)64(46-25-9-3-10-26-46)47-27-11-4-12-28-47/h5-42H,1-4H3;2*1-42H
• InChIKey: KXARMSNPMFNNGY-UHFFFAOYSA-N
• XLogP: 53.83
• TPSA: 19.44 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 22
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2657.46
LogP ≤ 5	53.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-N',4-N-bis(9,9-dimethylfluoren-2-yl)-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;1-N',1-N'-diphenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1',4-diamine;4-N,4-N-diphenyl-4-N'-(2-phenylphenyl)-4-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine?

The IUPAC name of 3-N',4-N-bis(9,9-dimethylfluoren-2-yl)-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;1-N',1-N'-diphenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1',4-diamine;4-N,4-N-diphenyl-4-N'-(2-phenylphenyl)-4-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine (CID 159265460) is 3-N',4-N-bis(9,9-dimethylfluoren-2-yl)-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;1-N',1-N'-diphenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1',4-diamine;4-N,4-N-diphenyl-4-N'-(2-phenylphenyl)-4-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine.

What is the SMILES notation for 3-N',4-N-bis(9,9-dimethylfluoren-2-yl)-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;1-N',1-N'-diphenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1',4-diamine;4-N,4-N-diphenyl-4-N'-(2-phenylphenyl)-4-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine?

The canonical SMILES for 3-N',4-N-bis(9,9-dimethylfluoren-2-yl)-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;1-N',1-N'-diphenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1',4-diamine;4-N,4-N-diphenyl-4-N'-(2-phenylphenyl)-4-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3sc5ccccc5c3C43c4ccccc4-c4c(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cccc43)cc21.c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3-c3ccccc3C43c4c(cccc4N(c4ccccc4)c4ccccc4)-c4sc5ccccc5c43)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3-c3sc5ccccc5c3C43c4ccccc4-c4c(N(c5ccccc5)c5ccccc5)cccc43)cc2)cc1.

What is the InChIKey of 3-N',4-N-bis(9,9-dimethylfluoren-2-yl)-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;1-N',1-N'-diphenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1',4-diamine;4-N,4-N-diphenyl-4-N'-(2-phenylphenyl)-4-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine?

The InChIKey is KXARMSNPMFNNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H50N2S.2C63H42N2S/c1-67(2)55-28-15-11-24-48(55)50-37-34-46(41-60(50)67)70(43-20-7-5-8-21-43)45-36-39-58-54(40-45)66-65(53-27-14-18-33-63(53)72-66)69(58)57-30-17-13-26-52(57)64-59(69)31-19-32-62(64)71(44-22-9-6-10-23-44)47-35-38-51-49-25-12-16-29-56(49)68(3,4)61(51)42-47;1-5-21-43(22-6-1)44-39-41-48(42-40-44)65(55-35-17-14-29-49(55)45-23-7-2-8-24-45)56-36-20-34-54-59(56)50-30-13-16-33-53(50)63(54)60-52(62-61(63)51-31-15-18-38-58(51)66-62)32-19-37-57(60)64(46-25-9-3-10-26-46)47-27-11-4-12-28-47;1-5-21-43(22-6-1)44-39-41-48(42-40-44)65(55-35-17-14-29-49(55)45-23-7-2-8-24-45)57-37-20-34-54-60(57)62-61(51-31-15-18-38-58(51)66-62)63(54)52-32-16-13-30-50(52)59-53(63)33-19-36-56(59)64(46-25-9-3-10-26-46)47-27-11-4-12-28-47/h5-42H,1-4H3;2*1-42H.

What are the key properties of 3-N',4-N-bis(9,9-dimethylfluoren-2-yl)-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;1-N',1-N'-diphenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1',4-diamine;4-N,4-N-diphenyl-4-N'-(2-phenylphenyl)-4-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine?

3-N',4-N-bis(9,9-dimethylfluoren-2-yl)-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;1-N',1-N'-diphenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1',4-diamine;4-N,4-N-diphenyl-4-N'-(2-phenylphenyl)-4-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine has a molecular weight of 2657.46 g/mol, XLogP of 53.83, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N',4-N-bis(9,9-dimethylfluoren-2-yl)-3-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine;1-N',1-N'-diphenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1',4-diamine;4-N,4-N-diphenyl-4-N'-(2-phenylphenyl)-4-N'-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine is sourced from PubChem (CID 159265460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).