9'-(4-carbazol-9-ylphenyl)-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1-amine;4-[3-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl]-N,N-diphenylaniline;methane

C121H80N4S2 — CID 159782771

About 9'-(4-carbazol-9-ylphenyl)-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1-amine;4-[3-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl]-N,N-diphenylaniline;methane

9'-(4-carbazol-9-ylphenyl)-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1-amine;4-[3-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl]-N,N-diphenylaniline;methane (PubChem CID 159782771) has the molecular formula C121H80N4S2 and a molecular weight of 1654.13 g/mol. Its IUPAC name is 9'-(4-carbazol-9-ylphenyl)-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1-amine;4-[3-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl]-N,N-diphenylaniline;methane.

Molecular Properties

• Compound Name: 9'-(4-carbazol-9-ylphenyl)-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1-amine;4-[3-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl]-N,N-diphenylaniline;methane
• PubChem CID: 159782771
• Molecular Formula: C121H80N4S2
• Molecular Weight: 1654.13 g/mol
• Exact Mass: 1652.58
• IUPAC Name: 9'-(4-carbazol-9-ylphenyl)-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1-amine;4-[3-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl]-N,N-diphenylaniline;methane
• SMILES: C.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)-c3c(sc5ccccc35)C43c4ccccc4-c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc43)cc2)cc1.c1ccc(N(c2ccccc2)c2cccc3c2C2(c4ccccc4-3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3-c3c2sc2ccccc32)cc1
• InChI: InChI=1S/C63H40N2S.C57H36N2S.CH4/c1-3-15-45(16-4-1)64(46-17-5-2-6-18-46)47-33-27-42(28-34-47)44-32-38-57-54(40-44)61-52-22-10-14-26-60(52)66-62(61)63(57)55-23-11-7-19-49(55)53-39-43(31-37-56(53)63)41-29-35-48(36-30-41)65-58-24-12-8-20-50(58)51-21-9-13-25-59(51)65;1-3-16-39(17-4-1)58(40-18-5-2-6-19-40)52-28-15-24-45-42-20-7-11-25-48(42)57(55(45)52)49-35-32-38(36-47(49)54-46-23-10-14-29-53(46)60-56(54)57)37-30-33-41(34-31-37)59-50-26-12-8-21-43(50)44-22-9-13-27-51(44)59;/h1-40H;1-36H;1H4
• InChIKey: NHOLMMAXTOBUCA-UHFFFAOYSA-N
• XLogP: 33.26
• TPSA: 16.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1654.13
LogP ≤ 5	33.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9'-(4-carbazol-9-ylphenyl)-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1-amine;4-[3-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl]-N,N-diphenylaniline;methane?

The IUPAC name of 9'-(4-carbazol-9-ylphenyl)-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1-amine;4-[3-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl]-N,N-diphenylaniline;methane (CID 159782771) is 9'-(4-carbazol-9-ylphenyl)-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1-amine;4-[3-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl]-N,N-diphenylaniline;methane.

What is the SMILES notation for 9'-(4-carbazol-9-ylphenyl)-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1-amine;4-[3-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl]-N,N-diphenylaniline;methane?

The canonical SMILES for 9'-(4-carbazol-9-ylphenyl)-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1-amine;4-[3-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl]-N,N-diphenylaniline;methane is C.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)-c3c(sc5ccccc35)C43c4ccccc4-c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc43)cc2)cc1.c1ccc(N(c2ccccc2)c2cccc3c2C2(c4ccccc4-3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3-c3c2sc2ccccc32)cc1.

What is the InChIKey of 9'-(4-carbazol-9-ylphenyl)-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1-amine;4-[3-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl]-N,N-diphenylaniline;methane?

The InChIKey is NHOLMMAXTOBUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N2S.C57H36N2S.CH4/c1-3-15-45(16-4-1)64(46-17-5-2-6-18-46)47-33-27-42(28-34-47)44-32-38-57-54(40-44)61-52-22-10-14-26-60(52)66-62(61)63(57)55-23-11-7-19-49(55)53-39-43(31-37-56(53)63)41-29-35-48(36-30-41)65-58-24-12-8-20-50(58)51-21-9-13-25-59(51)65;1-3-16-39(17-4-1)58(40-18-5-2-6-19-40)52-28-15-24-45-42-20-7-11-25-48(42)57(55(45)52)49-35-32-38(36-47(49)54-46-23-10-14-29-53(46)60-56(54)57)37-30-33-41(34-31-37)59-50-26-12-8-21-43(50)44-22-9-13-27-51(44)59;/h1-40H;1-36H;1H4.

What are the key properties of 9'-(4-carbazol-9-ylphenyl)-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1-amine;4-[3-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl]-N,N-diphenylaniline;methane?

9'-(4-carbazol-9-ylphenyl)-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1-amine;4-[3-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl]-N,N-diphenylaniline;methane has a molecular weight of 1654.13 g/mol, XLogP of 33.26, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9'-(4-carbazol-9-ylphenyl)-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-1-amine;4-[3-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl]-N,N-diphenylaniline;methane is sourced from PubChem (CID 159782771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).