4'-dinaphthalen-2-ylphosphorylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole];6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylbenzimidazolo[1,2-c]quinazoline;8-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)quinoline;8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylquinoline

C166H98N5OPS4 — CID 157316197

About 4'-dinaphthalen-2-ylphosphorylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole];6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylbenzimidazolo[1,2-c]quinazoline;8-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)quinoline;8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylquinoline

4'-dinaphthalen-2-ylphosphorylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole];6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylbenzimidazolo[1,2-c]quinazoline;8-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)quinoline;8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylquinoline (PubChem CID 157316197) has the molecular formula C166H98N5OPS4 and a molecular weight of 2337.89 g/mol. Its IUPAC name is 4'-dinaphthalen-2-ylphosphorylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole];6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylbenzimidazolo[1,2-c]quinazoline;8-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)quinoline;8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylquinoline.

Molecular Properties

• Compound Name: 4'-dinaphthalen-2-ylphosphorylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole];6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylbenzimidazolo[1,2-c]quinazoline;8-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)quinoline;8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylquinoline
• PubChem CID: 157316197
• Molecular Formula: C166H98N5OPS4
• Molecular Weight: 2337.89 g/mol
• Exact Mass: 2335.64
• IUPAC Name: 4'-dinaphthalen-2-ylphosphorylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole];6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylbenzimidazolo[1,2-c]quinazoline;8-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)quinoline;8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylquinoline
• SMILES: O=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1cccc2c1-c1sc3ccccc3c1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)-c1ccc(-c3ccc(-c4cccc5cccnc45)cc3)cc1C21c2ccccc2-c2sc3ccccc3c21.c1ccc2c(c1)-c1ccccc1C21c2cc(-c3cccc4cccnc34)ccc2-c2sc3ccccc3c21.c1ccc2c(c1)-c1ccccc1C21c2cc(-c3nc4ccccc4c4nc5ccccc5n34)ccc2-c2sc3ccccc3c21
• InChI: InChI=1S/C47H29OPS.C42H25NS.C41H23N3S.C36H21NS/c48-49(34-26-24-30-12-1-3-14-32(30)28-34,35-27-25-31-13-2-4-15-33(31)29-35)42-22-11-21-41-44(42)46-45(38-18-7-10-23-43(38)50-46)47(41)39-19-8-5-16-36(39)37-17-6-9-20-40(37)47;1-4-15-35-31(11-1)32-23-22-29(26-18-20-27(21-19-26)30-14-7-9-28-10-8-24-43-40(28)30)25-37(32)42(35)36-16-5-2-12-33(36)41-39(42)34-13-3-6-17-38(34)44-41;1-5-15-30-25(11-1)26-12-2-6-16-31(26)41(30)32-23-24(21-22-27(32)38-37(41)29-14-4-10-20-36(29)45-38)39-42-33-17-7-3-13-28(33)40-43-34-18-8-9-19-35(34)44(39)40;1-4-15-29-25(11-1)26-12-2-5-16-30(26)36(29)31-21-23(24-14-7-9-22-10-8-20-37-34(22)24)18-19-27(31)35-33(36)28-13-3-6-17-32(28)38-35/h1-29H;1-25H;1-23H;1-21H
• InChIKey: BDPVONSXAFNMLR-UHFFFAOYSA-N
• XLogP: 42.04
• TPSA: 73.04 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2337.89
LogP ≤ 5	42.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4'-dinaphthalen-2-ylphosphorylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole];6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylbenzimidazolo[1,2-c]quinazoline;8-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)quinoline;8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylquinoline?

The IUPAC name of 4'-dinaphthalen-2-ylphosphorylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole];6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylbenzimidazolo[1,2-c]quinazoline;8-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)quinoline;8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylquinoline (CID 157316197) is 4'-dinaphthalen-2-ylphosphorylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole];6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylbenzimidazolo[1,2-c]quinazoline;8-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)quinoline;8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylquinoline.

What is the SMILES notation for 4'-dinaphthalen-2-ylphosphorylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole];6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylbenzimidazolo[1,2-c]quinazoline;8-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)quinoline;8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylquinoline?

The canonical SMILES for 4'-dinaphthalen-2-ylphosphorylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole];6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylbenzimidazolo[1,2-c]quinazoline;8-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)quinoline;8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylquinoline is O=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1cccc2c1-c1sc3ccccc3c1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)-c1ccc(-c3ccc(-c4cccc5cccnc45)cc3)cc1C21c2ccccc2-c2sc3ccccc3c21.c1ccc2c(c1)-c1ccccc1C21c2cc(-c3cccc4cccnc34)ccc2-c2sc3ccccc3c21.c1ccc2c(c1)-c1ccccc1C21c2cc(-c3nc4ccccc4c4nc5ccccc5n34)ccc2-c2sc3ccccc3c21.

What is the InChIKey of 4'-dinaphthalen-2-ylphosphorylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole];6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylbenzimidazolo[1,2-c]quinazoline;8-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)quinoline;8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylquinoline?

The InChIKey is BDPVONSXAFNMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29OPS.C42H25NS.C41H23N3S.C36H21NS/c48-49(34-26-24-30-12-1-3-14-32(30)28-34,35-27-25-31-13-2-4-15-33(31)29-35)42-22-11-21-41-44(42)46-45(38-18-7-10-23-43(38)50-46)47(41)39-19-8-5-16-36(39)37-17-6-9-20-40(37)47;1-4-15-35-31(11-1)32-23-22-29(26-18-20-27(21-19-26)30-14-7-9-28-10-8-24-43-40(28)30)25-37(32)42(35)36-16-5-2-12-33(36)41-39(42)34-13-3-6-17-38(34)44-41;1-5-15-30-25(11-1)26-12-2-6-16-31(26)41(30)32-23-24(21-22-27(32)38-37(41)29-14-4-10-20-36(29)45-38)39-42-33-17-7-3-13-28(33)40-43-34-18-8-9-19-35(34)44(39)40;1-4-15-29-25(11-1)26-12-2-5-16-30(26)36(29)31-21-23(24-14-7-9-22-10-8-20-37-34(22)24)18-19-27(31)35-33(36)28-13-3-6-17-32(28)38-35/h1-29H;1-25H;1-23H;1-21H.

What are the key properties of 4'-dinaphthalen-2-ylphosphorylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole];6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylbenzimidazolo[1,2-c]quinazoline;8-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)quinoline;8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylquinoline?

4'-dinaphthalen-2-ylphosphorylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole];6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylbenzimidazolo[1,2-c]quinazoline;8-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)quinoline;8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylquinoline has a molecular weight of 2337.89 g/mol, XLogP of 42.04, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4'-dinaphthalen-2-ylphosphorylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole];6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylbenzimidazolo[1,2-c]quinazoline;8-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)quinoline;8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylquinoline is sourced from PubChem (CID 157316197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).