2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;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

C183H118N6S3 — CID 158290591

About 2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;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

2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;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 (PubChem CID 158290591) has the molecular formula C183H118N6S3 and a molecular weight of 2497.20 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;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.

Molecular Properties

• Compound Name: 2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;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
• PubChem CID: 158290591
• Molecular Formula: C183H118N6S3
• Molecular Weight: 2497.20 g/mol
• Exact Mass: 2494.86
• IUPAC Name: 2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;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
• SMILES: 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(c2cccc3c2-c2sc4ccccc4c2C32c3ccccc3-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc32)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C61H38N2S.2C61H40N2S/c1-2-18-42(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/h1-38H;2*1-40H
• InChIKey: GLHNDDMZIPOXBQ-UHFFFAOYSA-N
• XLogP: 50.64
• TPSA: 21.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2497.20
LogP ≤ 5	50.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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;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?

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;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 (CID 158290591) is 2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;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.

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;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?

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;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 is 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(c2cccc3c2-c2sc4ccccc4c2C32c3ccccc3-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc32)c2cccc3ccccc23)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;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?

The InChIKey is GLHNDDMZIPOXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2S.2C61H40N2S/c1-2-18-42(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/h1-38H;2*1-40H.

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;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?

2-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-amine;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 has a molecular weight of 2497.20 g/mol, XLogP of 50.64, 19 rotatable bonds, 0 hydrogen bond donors, and 9 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;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 is sourced from PubChem (CID 158290591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).