N,N-dinaphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-amine;N-phenanthren-9-yl-N-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine

C149H93N3S3 — CID 159273209

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

N,N-dinaphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-amine;N-phenanthren-9-yl-N-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine (PubChem CID 159273209) has the molecular formula C149H93N3S3 and a molecular weight of 2021.61 g/mol. Its IUPAC name is N,N-dinaphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-amine;N-phenanthren-9-yl-N-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine.

Molecular Properties

• Compound Name: N,N-dinaphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-amine;N-phenanthren-9-yl-N-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine
• PubChem CID: 159273209
• Molecular Formula: C149H93N3S3
• Molecular Weight: 2021.61 g/mol
• Exact Mass: 2019.65
• IUPAC Name: N,N-dinaphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-amine;N-phenanthren-9-yl-N-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine
• SMILES: c1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2c-3sc3ccccc23)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2c-3sc3ccccc23)cc1.c1ccc2c(c1)-c1ccccc1C21c2cc(N(c3cccc4ccccc34)c3cccc4ccccc34)ccc2-c2sc3ccccc3c21
• InChI: InChI=1S/C53H33NS.C49H31NS.C47H29NS/c1-2-16-34(17-3-1)38-20-10-14-28-48(38)54(49-32-35-18-4-5-19-37(35)39-21-6-7-24-42(39)49)36-30-31-43-47(33-36)53(51-44-25-11-15-29-50(44)55-52(43)51)45-26-12-8-22-40(45)41-23-9-13-27-46(41)53;1-2-16-34(17-3-1)50(35-30-28-33(29-31-35)37-22-12-15-32-14-4-5-18-36(32)37)44-26-13-23-41-46(44)49(47-40-21-8-11-27-45(40)51-48(41)47)42-24-9-6-19-38(42)39-20-7-10-25-43(39)49;1-3-17-33-30(13-1)15-11-24-42(33)48(43-25-12-16-31-14-2-4-18-34(31)43)32-27-28-37-41(29-32)47(45-38-21-7-10-26-44(38)49-46(37)45)39-22-8-5-19-35(39)36-20-6-9-23-40(36)47/h1-33H;1-31H;1-29H
• InChIKey: KXYZBROEPXHJMF-UHFFFAOYSA-N
• XLogP: 41.24
• TPSA: 9.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2021.61
LogP ≤ 5	41.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dinaphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-amine;N-phenanthren-9-yl-N-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine?

The IUPAC name of N,N-dinaphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-amine;N-phenanthren-9-yl-N-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine (CID 159273209) is N,N-dinaphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-amine;N-phenanthren-9-yl-N-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine.

What is the SMILES notation for N,N-dinaphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-amine;N-phenanthren-9-yl-N-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine?

The canonical SMILES for N,N-dinaphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-amine;N-phenanthren-9-yl-N-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2c-3sc3ccccc23)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2c-3sc3ccccc23)cc1.c1ccc2c(c1)-c1ccccc1C21c2cc(N(c3cccc4ccccc34)c3cccc4ccccc34)ccc2-c2sc3ccccc3c21.

What is the InChIKey of N,N-dinaphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-amine;N-phenanthren-9-yl-N-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine?

The InChIKey is KXYZBROEPXHJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NS.C49H31NS.C47H29NS/c1-2-16-34(17-3-1)38-20-10-14-28-48(38)54(49-32-35-18-4-5-19-37(35)39-21-6-7-24-42(39)49)36-30-31-43-47(33-36)53(51-44-25-11-15-29-50(44)55-52(43)51)45-26-12-8-22-40(45)41-23-9-13-27-46(41)53;1-2-16-34(17-3-1)50(35-30-28-33(29-31-35)37-22-12-15-32-14-4-5-18-36(32)37)44-26-13-23-41-46(44)49(47-40-21-8-11-27-45(40)51-48(41)47)42-24-9-6-19-38(42)39-20-7-10-25-43(39)49;1-3-17-33-30(13-1)15-11-24-42(33)48(43-25-12-16-31-14-2-4-18-34(31)43)32-27-28-37-41(29-32)47(45-38-21-7-10-26-44(38)49-46(37)45)39-22-8-5-19-35(39)36-20-6-9-23-40(36)47/h1-33H;1-31H;1-29H.

What are the key properties of N,N-dinaphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-amine;N-phenanthren-9-yl-N-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine?

N,N-dinaphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-amine;N-phenanthren-9-yl-N-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine has a molecular weight of 2021.61 g/mol, XLogP of 41.24, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dinaphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-amine;N-phenanthren-9-yl-N-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-amine is sourced from PubChem (CID 159273209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).