3'-(3-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]

C43H29O2P — CID 130379369

IUPAC3'-(3-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C43H29O2P/c44-46(32-15-3-1-4-16-32,33-17-5-2-6-18-33)34-19-13-14-30(28-34)31-26-27-40-42(29-31)45-41-25-12-11-24-39(41)43(40)37-22-9-7-20-35(37)36-21-8-10-23-38(36)43/h1-29H
InChIKeyLQTRGWDTZYFZPC-UHFFFAOYSA-N
MW608.68 g/mol
LogP9.46
Rot. Bonds4

About 3'-(3-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]

3'-(3-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene] (PubChem CID 130379369) has the molecular formula C43H29O2P and a molecular weight of 608.68 g/mol. Its IUPAC name is 3'-(3-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name3'-(3-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
PubChem CID130379369
Molecular FormulaC43H29O2P
Molecular Weight608.68 g/mol
Exact Mass608.19
IUPAC Name3'-(3-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C43H29O2P/c44-46(32-15-3-1-4-16-32,33-17-5-2-6-18-33)34-19-13-14-30(28-34)31-26-27-40-42(29-31)45-41-25-12-11-24-39(41)43(40)37-22-9-7-20-35(37)36-21-8-10-23-38(36)43/h1-29H
InChIKeyLQTRGWDTZYFZPC-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
2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 137388508
4-phenyl-2-[3-[6'-[3-[phenyl-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phosphoryl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]quinazoline
CID 146343003
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
2-phenyl-5-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,4-oxadiazole
CID 140947158
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177299104
4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 155305190
4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene]
CID 161440749
2',7'-bis(4-diphenylphosphorylphenyl)-9,9'-spirobi[fluorene]
CID 176589935
4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389218

Frequently Asked Questions

What is the IUPAC name of 3'-(3-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 3'-(3-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene] (CID 130379369) is 3'-(3-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 3'-(3-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 3'-(3-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene] is O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 3'-(3-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]?
The InChIKey is LQTRGWDTZYFZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29O2P/c44-46(32-15-3-1-4-16-32,33-17-5-2-6-18-33)34-19-13-14-30(28-34)31-26-27-40-42(29-31)45-41-25-12-11-24-39(41)43(40)37-22-9-7-20-35(37)36-21-8-10-23-38(36)43/h1-29H.
What are the key properties of 3'-(3-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]?
3'-(3-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 3'-(3-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 130379369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).