N-(4-fluorophenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]phenanthren-9-amine;N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine

C150H97FN6S3 — CID 161018282

About N-(4-fluorophenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]phenanthren-9-amine;N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine

N-(4-fluorophenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]phenanthren-9-amine;N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine (PubChem CID 161018282) has the molecular formula C150H97FN6S3 and a molecular weight of 2098.67 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]phenanthren-9-amine;N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]phenanthren-9-amine;N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
• PubChem CID: 161018282
• Molecular Formula: C150H97FN6S3
• Molecular Weight: 2098.67 g/mol
• Exact Mass: 2096.69
• IUPAC Name: N-(4-fluorophenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]phenanthren-9-amine;N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
• SMILES: Fc1ccc(N(c2ccc(-c3cccc4c3sc3c5ccccc5n(-c5ccccc5)c43)cc2)c2cccc3ccccc23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4c6ccccc6n(-c6ccccc6)c54)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1.c1ccc(-n2c3ccccc3c3sc4c(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cc7ccccc7c7ccccc67)cc5)cccc4c32)cc1
• InChI: InChI=1S/C56H36N2S.C52H34N2S.C42H27FN2S/c1-2-17-41(18-3-1)58-52-27-11-10-23-50(52)56-54(58)51-26-13-25-47(55(51)59-56)39-30-34-43(35-31-39)57(53-36-40-15-5-7-20-46(40)48-21-8-9-22-49(48)53)42-32-28-38(29-33-42)45-24-12-16-37-14-4-6-19-44(37)45;1-3-14-35(15-4-1)36-26-30-40(31-27-36)53(49-34-38-16-7-8-19-42(38)44-20-9-10-21-45(44)49)41-32-28-37(29-33-41)43-23-13-24-47-50-52(55-51(43)47)46-22-11-12-25-48(46)54(50)39-17-5-2-6-18-39;43-30-22-26-33(27-23-30)44(38-19-8-11-28-10-4-5-14-34(28)38)32-24-20-29(21-25-32)35-16-9-17-37-40-42(46-41(35)37)36-15-6-7-18-39(36)45(40)31-12-2-1-3-13-31/h1-36H;1-34H;1-27H
• InChIKey: TYACDGLEHBRRPJ-UHFFFAOYSA-N
• XLogP: 43.80
• TPSA: 24.51 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2098.67
LogP ≤ 5	43.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]phenanthren-9-amine;N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine?

The IUPAC name of N-(4-fluorophenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]phenanthren-9-amine;N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine (CID 161018282) is N-(4-fluorophenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]phenanthren-9-amine;N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine.

What is the SMILES notation for N-(4-fluorophenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]phenanthren-9-amine;N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine?

The canonical SMILES for N-(4-fluorophenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]phenanthren-9-amine;N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine is Fc1ccc(N(c2ccc(-c3cccc4c3sc3c5ccccc5n(-c5ccccc5)c43)cc2)c2cccc3ccccc23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4c6ccccc6n(-c6ccccc6)c54)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1.c1ccc(-n2c3ccccc3c3sc4c(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cc7ccccc7c7ccccc67)cc5)cccc4c32)cc1.

What is the InChIKey of N-(4-fluorophenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]phenanthren-9-amine;N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine?

The InChIKey is TYACDGLEHBRRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2S.C52H34N2S.C42H27FN2S/c1-2-17-41(18-3-1)58-52-27-11-10-23-50(52)56-54(58)51-26-13-25-47(55(51)59-56)39-30-34-43(35-31-39)57(53-36-40-15-5-7-20-46(40)48-21-8-9-22-49(48)53)42-32-28-38(29-33-42)45-24-12-16-37-14-4-6-19-44(37)45;1-3-14-35(15-4-1)36-26-30-40(31-27-36)53(49-34-38-16-7-8-19-42(38)44-20-9-10-21-45(44)49)41-32-28-37(29-33-41)43-23-13-24-47-50-52(55-51(43)47)46-22-11-12-25-48(46)54(50)39-17-5-2-6-18-39;43-30-22-26-33(27-23-30)44(38-19-8-11-28-10-4-5-14-34(28)38)32-24-20-29(21-25-32)35-16-9-17-37-40-42(46-41(35)37)36-15-6-7-18-39(36)45(40)31-12-2-1-3-13-31/h1-36H;1-34H;1-27H.

What are the key properties of N-(4-fluorophenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]phenanthren-9-amine;N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine?

N-(4-fluorophenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]phenanthren-9-amine;N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine has a molecular weight of 2098.67 g/mol, XLogP of 43.80, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]phenanthren-9-amine;N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 161018282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).