2-(4-carbazol-9-ylphenyl)-N-[5-[3-(N-(3-carbazol-9-ylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl)anilino)phenyl]naphthalen-1-yl]-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine

C112H68N4S2 — CID 134533596

About 2-(4-carbazol-9-ylphenyl)-N-[5-[3-(N-(3-carbazol-9-ylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl)anilino)phenyl]naphthalen-1-yl]-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine

2-(4-carbazol-9-ylphenyl)-N-[5-[3-(N-(3-carbazol-9-ylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl)anilino)phenyl]naphthalen-1-yl]-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine (PubChem CID 134533596) has the molecular formula C112H68N4S2 and a molecular weight of 1533.94 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-N-[5-[3-(N-(3-carbazol-9-ylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl)anilino)phenyl]naphthalen-1-yl]-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine.

Molecular Properties

• Compound Name: 2-(4-carbazol-9-ylphenyl)-N-[5-[3-(N-(3-carbazol-9-ylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl)anilino)phenyl]naphthalen-1-yl]-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine
• PubChem CID: 134533596
• Molecular Formula: C112H68N4S2
• Molecular Weight: 1533.94 g/mol
• Exact Mass: 1532.49
• IUPAC Name: 2-(4-carbazol-9-ylphenyl)-N-[5-[3-(N-(3-carbazol-9-ylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl)anilino)phenyl]naphthalen-1-yl]-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine
• SMILES: c1ccc(N(c2cccc(-c3cccc4c(N(c5ccccc5)c5cccc6c5-c5c(sc7ccccc57)C65c6ccccc6-c6ccc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cc65)cccc34)c2)c2ccc3c(c2)-c2c(sc4ccccc24)C32c3ccccc3-c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
• InChI: InChI=1S/C112H68N4S2/c1-3-28-72(29-4-1)113(76-60-64-95-91(68-76)106-88-39-13-21-53-104(88)117-109(106)111(95)93-45-16-8-34-81(93)90-67-77(61-63-94(90)111)116-100-49-19-11-37-86(100)87-38-12-20-50-101(87)116)75-32-23-27-71(65-75)78-41-24-43-83-79(78)42-25-51-102(83)115(73-30-5-2-6-31-73)103-52-26-46-96-108(103)107-89-40-14-22-54-105(89)118-110(107)112(96)92-44-15-7-33-80(92)82-62-57-70(66-97(82)112)69-55-58-74(59-56-69)114-98-47-17-9-35-84(98)85-36-10-18-48-99(85)114/h1-68H
• InChIKey: VVESLLLAIKEEBN-UHFFFAOYSA-N
• XLogP: 30.42
• TPSA: 16.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1533.94
LogP ≤ 5	30.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-N-[5-[3-(N-(3-carbazol-9-ylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl)anilino)phenyl]naphthalen-1-yl]-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine?

The IUPAC name of 2-(4-carbazol-9-ylphenyl)-N-[5-[3-(N-(3-carbazol-9-ylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl)anilino)phenyl]naphthalen-1-yl]-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine (CID 134533596) is 2-(4-carbazol-9-ylphenyl)-N-[5-[3-(N-(3-carbazol-9-ylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl)anilino)phenyl]naphthalen-1-yl]-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine.

What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-N-[5-[3-(N-(3-carbazol-9-ylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl)anilino)phenyl]naphthalen-1-yl]-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine?

The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-N-[5-[3-(N-(3-carbazol-9-ylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl)anilino)phenyl]naphthalen-1-yl]-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine is c1ccc(N(c2cccc(-c3cccc4c(N(c5ccccc5)c5cccc6c5-c5c(sc7ccccc57)C65c6ccccc6-c6ccc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cc65)cccc34)c2)c2ccc3c(c2)-c2c(sc4ccccc24)C32c3ccccc3-c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.

What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-N-[5-[3-(N-(3-carbazol-9-ylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl)anilino)phenyl]naphthalen-1-yl]-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine?

The InChIKey is VVESLLLAIKEEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H68N4S2/c1-3-28-72(29-4-1)113(76-60-64-95-91(68-76)106-88-39-13-21-53-104(88)117-109(106)111(95)93-45-16-8-34-81(93)90-67-77(61-63-94(90)111)116-100-49-19-11-37-86(100)87-38-12-20-50-101(87)116)75-32-23-27-71(65-75)78-41-24-43-83-79(78)42-25-51-102(83)115(73-30-5-2-6-31-73)103-52-26-46-96-108(103)107-89-40-14-22-54-105(89)118-110(107)112(96)92-44-15-7-33-80(92)82-62-57-70(66-97(82)112)69-55-58-74(59-56-69)114-98-47-17-9-35-84(98)85-36-10-18-48-99(85)114/h1-68H.

What are the key properties of 2-(4-carbazol-9-ylphenyl)-N-[5-[3-(N-(3-carbazol-9-ylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl)anilino)phenyl]naphthalen-1-yl]-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine?

2-(4-carbazol-9-ylphenyl)-N-[5-[3-(N-(3-carbazol-9-ylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl)anilino)phenyl]naphthalen-1-yl]-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine has a molecular weight of 1533.94 g/mol, XLogP of 30.42, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-carbazol-9-ylphenyl)-N-[5-[3-(N-(3-carbazol-9-ylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl)anilino)phenyl]naphthalen-1-yl]-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine is sourced from PubChem (CID 134533596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).