7-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11-diphenylbenzo[a]fluorene;3-[4-(4-dimethylphosphorylphenyl)phenyl]spiro[benzo[b]fluorene-11,7'-benzo[c]fluorene];3-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11'-spirobi[benzo[b]fluorene]

C137H99O3P3 — CID 158575518

About 7-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11-diphenylbenzo[a]fluorene;3-[4-(4-dimethylphosphorylphenyl)phenyl]spiro[benzo[b]fluorene-11,7'-benzo[c]fluorene];3-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11'-spirobi[benzo[b]fluorene]

7-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11-diphenylbenzo[a]fluorene;3-[4-(4-dimethylphosphorylphenyl)phenyl]spiro[benzo[b]fluorene-11,7'-benzo[c]fluorene];3-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11'-spirobi[benzo[b]fluorene] (PubChem CID 158575518) has the molecular formula C137H99O3P3 and a molecular weight of 1886.22 g/mol. Its IUPAC name is 7-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11-diphenylbenzo[a]fluorene;3-[4-(4-dimethylphosphorylphenyl)phenyl]spiro[benzo[b]fluorene-11,7'-benzo[c]fluorene];3-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11'-spirobi[benzo[b]fluorene].

Molecular Properties

• Compound Name: 7-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11-diphenylbenzo[a]fluorene;3-[4-(4-dimethylphosphorylphenyl)phenyl]spiro[benzo[b]fluorene-11,7'-benzo[c]fluorene];3-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11'-spirobi[benzo[b]fluorene]
• PubChem CID: 158575518
• Molecular Formula: C137H99O3P3
• Molecular Weight: 1886.22 g/mol
• Exact Mass: 1884.68
• IUPAC Name: 7-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11-diphenylbenzo[a]fluorene;3-[4-(4-dimethylphosphorylphenyl)phenyl]spiro[benzo[b]fluorene-11,7'-benzo[c]fluorene];3-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11'-spirobi[benzo[b]fluorene]
• SMILES: CP(C)(=O)c1ccc(-c2ccc(-c3ccc4c(c3)-c3cc5ccccc5cc3C43c4ccccc4-c4c3ccc3ccccc43)cc2)cc1.CP(C)(=O)c1ccc(-c2ccc(-c3ccc4c(c3)-c3cc5ccccc5cc3C43c4ccccc4-c4cc5ccccc5cc43)cc2)cc1.CP(C)(=O)c1ccc(-c2ccc(-c3cccc4c3-c3ccc5ccccc5c3C4(c3ccccc3)c3ccccc3)cc2)cc1
• InChI: InChI=1S/2C47H33OP.C43H33OP/c1-49(2,48)38-22-19-31(20-23-38)30-15-17-32(18-16-30)37-21-24-44-41(27-37)42-26-34-10-4-6-12-36(34)29-46(42)47(44)43-14-8-7-13-39(43)40-25-33-9-3-5-11-35(33)28-45(40)47;1-49(2,48)37-23-19-31(20-24-37)30-15-17-32(18-16-30)36-22-25-43-40(28-36)41-27-34-10-3-4-11-35(34)29-45(41)47(43)42-14-8-7-13-39(42)46-38-12-6-5-9-33(38)21-26-44(46)47;1-45(2,44)36-27-24-31(25-28-36)30-20-22-33(23-21-30)37-18-11-19-40-41(37)39-29-26-32-12-9-10-17-38(32)42(39)43(40,34-13-5-3-6-14-34)35-15-7-4-8-16-35/h2*3-29H,1-2H3;3-29H,1-2H3
• InChIKey: HSPLYJAHOJMPLN-UHFFFAOYSA-N
• XLogP: 34.62
• TPSA: 51.21 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1886.22
LogP ≤ 5	34.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11-diphenylbenzo[a]fluorene;3-[4-(4-dimethylphosphorylphenyl)phenyl]spiro[benzo[b]fluorene-11,7'-benzo[c]fluorene];3-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11'-spirobi[benzo[b]fluorene]?

The IUPAC name of 7-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11-diphenylbenzo[a]fluorene;3-[4-(4-dimethylphosphorylphenyl)phenyl]spiro[benzo[b]fluorene-11,7'-benzo[c]fluorene];3-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11'-spirobi[benzo[b]fluorene] (CID 158575518) is 7-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11-diphenylbenzo[a]fluorene;3-[4-(4-dimethylphosphorylphenyl)phenyl]spiro[benzo[b]fluorene-11,7'-benzo[c]fluorene];3-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11'-spirobi[benzo[b]fluorene].

What is the SMILES notation for 7-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11-diphenylbenzo[a]fluorene;3-[4-(4-dimethylphosphorylphenyl)phenyl]spiro[benzo[b]fluorene-11,7'-benzo[c]fluorene];3-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11'-spirobi[benzo[b]fluorene]?

The canonical SMILES for 7-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11-diphenylbenzo[a]fluorene;3-[4-(4-dimethylphosphorylphenyl)phenyl]spiro[benzo[b]fluorene-11,7'-benzo[c]fluorene];3-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11'-spirobi[benzo[b]fluorene] is CP(C)(=O)c1ccc(-c2ccc(-c3ccc4c(c3)-c3cc5ccccc5cc3C43c4ccccc4-c4c3ccc3ccccc43)cc2)cc1.CP(C)(=O)c1ccc(-c2ccc(-c3ccc4c(c3)-c3cc5ccccc5cc3C43c4ccccc4-c4cc5ccccc5cc43)cc2)cc1.CP(C)(=O)c1ccc(-c2ccc(-c3cccc4c3-c3ccc5ccccc5c3C4(c3ccccc3)c3ccccc3)cc2)cc1.

What is the InChIKey of 7-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11-diphenylbenzo[a]fluorene;3-[4-(4-dimethylphosphorylphenyl)phenyl]spiro[benzo[b]fluorene-11,7'-benzo[c]fluorene];3-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11'-spirobi[benzo[b]fluorene]?

The InChIKey is HSPLYJAHOJMPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H33OP.C43H33OP/c1-49(2,48)38-22-19-31(20-23-38)30-15-17-32(18-16-30)37-21-24-44-41(27-37)42-26-34-10-4-6-12-36(34)29-46(42)47(44)43-14-8-7-13-39(43)40-25-33-9-3-5-11-35(33)28-45(40)47;1-49(2,48)37-23-19-31(20-24-37)30-15-17-32(18-16-30)36-22-25-43-40(28-36)41-27-34-10-3-4-11-35(34)29-45(41)47(43)42-14-8-7-13-39(42)46-38-12-6-5-9-33(38)21-26-44(46)47;1-45(2,44)36-27-24-31(25-28-36)30-20-22-33(23-21-30)37-18-11-19-40-41(37)39-29-26-32-12-9-10-17-38(32)42(39)43(40,34-13-5-3-6-14-34)35-15-7-4-8-16-35/h2*3-29H,1-2H3;3-29H,1-2H3.

What are the key properties of 7-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11-diphenylbenzo[a]fluorene;3-[4-(4-dimethylphosphorylphenyl)phenyl]spiro[benzo[b]fluorene-11,7'-benzo[c]fluorene];3-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11'-spirobi[benzo[b]fluorene]?

7-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11-diphenylbenzo[a]fluorene;3-[4-(4-dimethylphosphorylphenyl)phenyl]spiro[benzo[b]fluorene-11,7'-benzo[c]fluorene];3-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11'-spirobi[benzo[b]fluorene] has a molecular weight of 1886.22 g/mol, XLogP of 34.62, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11-diphenylbenzo[a]fluorene;3-[4-(4-dimethylphosphorylphenyl)phenyl]spiro[benzo[b]fluorene-11,7'-benzo[c]fluorene];3-[4-(4-dimethylphosphorylphenyl)phenyl]-11,11'-spirobi[benzo[b]fluorene] is sourced from PubChem (CID 158575518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).