2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]

C43H29O2P — CID 137388508

IUPAC2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C43H29O2P/c44-46(32-13-3-1-4-14-32,33-15-5-2-6-16-33)34-26-23-30(24-27-34)31-25-28-42-40(29-31)43(39-21-11-12-22-41(39)45-42)37-19-9-7-17-35(37)36-18-8-10-20-38(36)43/h1-29H
InChIKeyOIANJALZWZGHQA-UHFFFAOYSA-N
MW608.68 g/mol
LogP9.46
Rot. Bonds4

About 2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]

2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene] (PubChem CID 137388508) has the molecular formula C43H29O2P and a molecular weight of 608.68 g/mol. Its IUPAC name is 2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
PubChem CID137388508
Molecular FormulaC43H29O2P
Molecular Weight608.68 g/mol
Exact Mass608.19
IUPAC Name2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C43H29O2P/c44-46(32-13-3-1-4-14-32,33-15-5-2-6-16-33)34-26-23-30(24-27-34)31-25-28-42-40(29-31)43(39-21-11-12-22-41(39)45-42)37-19-9-7-17-35(37)36-18-8-10-20-38(36)43/h1-29H
InChIKeyOIANJALZWZGHQA-UHFFFAOYSA-N
XLogP9.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.68
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 137388643
3'-(3-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 130379369
2',7'-bis(4-diphenylphosphorylphenyl)-9,9'-spirobi[fluorene]
CID 176589935
2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170243199
4-[7'-(4-hydroxyphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenol
CID 23369045
21-[4-(4-diphenylphosphorylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 164737333
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184

Frequently Asked Questions

What is the IUPAC name of 2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene] (CID 137388508) is 2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene] is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]?
The InChIKey is OIANJALZWZGHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29O2P/c44-46(32-13-3-1-4-14-32,33-15-5-2-6-16-33)34-26-23-30(24-27-34)31-25-28-42-40(29-31)43(39-21-11-12-22-41(39)45-42)37-19-9-7-17-35(37)36-18-8-10-20-38(36)43/h1-29H.
What are the key properties of 2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]?
2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene] has a molecular weight of 608.68 g/mol, XLogP of 9.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 137388508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).