3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]

C43H29O2P — CID 137388643

IUPAC3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-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)31-25-28-40-42(29-31)45-41-22-12-11-21-39(41)43(40)37-19-9-7-17-35(37)36-18-8-10-20-38(36)43/h1-29H
InChIKeyDYERVYYZNRMXFH-UHFFFAOYSA-N
MW608.68 g/mol
LogP9.46
Rot. Bonds4

About 3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]

3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene] (PubChem CID 137388643) has the molecular formula C43H29O2P and a molecular weight of 608.68 g/mol. Its IUPAC name is 3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
PubChem CID137388643
Molecular FormulaC43H29O2P
Molecular Weight608.68 g/mol
Exact Mass608.19
IUPAC Name3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-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)31-25-28-40-42(29-31)45-41-22-12-11-21-39(41)43(40)37-19-9-7-17-35(37)36-18-8-10-20-38(36)43/h1-29H
InChIKeyDYERVYYZNRMXFH-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'-(3-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 130379369
2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 137388508
2',7'-bis(4-diphenylphosphorylphenyl)-9,9'-spirobi[fluorene]
CID 176589935
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
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
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
2-(4-diphenylphosphorylphenyl)-4-spiro[fluorene-9,9'-xanthene]-3'-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 167126683
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
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
2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483754
3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177299104

Frequently Asked Questions

What is the IUPAC name of 3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene] (CID 137388643) is 3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene] is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]?
The InChIKey is DYERVYYZNRMXFH-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)31-25-28-40-42(29-31)45-41-22-12-11-21-39(41)43(40)37-19-9-7-17-35(37)36-18-8-10-20-38(36)43/h1-29H.
What are the key properties of 3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]?
3'-(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 3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 137388643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).