3-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-ol

C43H31O2P — CID 146367956

IUPAC3-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-ol
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc3c(cc2O)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C43H31O2P/c44-42-30-41-39(37-23-13-14-24-40(37)43(41,32-15-5-1-6-16-32)33-17-7-2-8-18-33)29-38(42)31-25-27-36(28-26-31)46(45,34-19-9-3-10-20-34)35-21-11-4-12-22-35/h1-30,44H
InChIKeyAJSNKKBJSBUVBD-UHFFFAOYSA-N
MW610.69 g/mol
LogP9.06
Rot. Bonds6

About 3-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-ol

3-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-ol (PubChem CID 146367956) has the molecular formula C43H31O2P and a molecular weight of 610.69 g/mol. Its IUPAC name is 3-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-ol.

Molecular Properties

Compound Name3-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-ol
PubChem CID146367956
Molecular FormulaC43H31O2P
Molecular Weight610.69 g/mol
Exact Mass610.21
IUPAC Name3-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-ol
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc3c(cc2O)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C43H31O2P/c44-42-30-41-39(37-23-13-14-24-40(37)43(41,32-15-5-1-6-16-32)33-17-7-2-8-18-33)29-38(42)31-25-27-36(28-26-31)46(45,34-19-9-3-10-20-34)35-21-11-4-12-22-35/h1-30,44H
InChIKeyAJSNKKBJSBUVBD-UHFFFAOYSA-N
XLogP9.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.69
LogP ≤ 59.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2',7'-bis(4-diphenylphosphorylphenyl)-9,9'-spirobi[fluorene]
CID 176589935
21-(4-diphenylphosphorylphenyl)-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129123984
3,9,9-triphenylfluorene
CID 140844354
3-fluoro-6-[(6-fluoro-9,9-diphenylfluoren-3-yl)-phenylphosphoryl]-9,9-diphenylfluorene
CID 134596158
bis(9,9-diphenylfluoren-2-yl)-methylidene-phenyl-λ5-phosphane
CID 158054425
3-(2-nitrophenyl)-9,9-diphenylfluoren-2-ol
CID 163412438
2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483754
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]-1,3,5-triazine
CID 137413879
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 137388508
3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 137388643
4-[2-(4-methylphenyl)-9-phenylfluoren-9-yl]phenol
CID 122651606

Frequently Asked Questions

What is the IUPAC name of 3-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-ol?
The IUPAC name of 3-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-ol (CID 146367956) is 3-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-ol.
What is the SMILES notation for 3-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-ol?
The canonical SMILES for 3-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-ol is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc3c(cc2O)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 3-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-ol?
The InChIKey is AJSNKKBJSBUVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31O2P/c44-42-30-41-39(37-23-13-14-24-40(37)43(41,32-15-5-1-6-16-32)33-17-7-2-8-18-33)29-38(42)31-25-27-36(28-26-31)46(45,34-19-9-3-10-20-34)35-21-11-4-12-22-35/h1-30,44H.
What are the key properties of 3-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-ol?
3-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-ol has a molecular weight of 610.69 g/mol, XLogP of 9.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-ol is sourced from PubChem (CID 146367956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).