9,9-dimethylxanthene;triphenylphosphane

C33H29OP — CID 175584517

IUPAC9,9-dimethylxanthene;triphenylphosphane
SMILESCC1(C)c2ccccc2Oc2ccccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C15H14O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h1-15H;3-10H,1-2H3
InChIKeyRVAXYOFSGXBETC-UHFFFAOYSA-N
MW472.57 g/mol
LogP7.56
Rot. Bonds3

About 9,9-dimethylxanthene;triphenylphosphane

9,9-dimethylxanthene;triphenylphosphane (PubChem CID 175584517) has the molecular formula C33H29OP and a molecular weight of 472.57 g/mol. Its IUPAC name is 9,9-dimethylxanthene;triphenylphosphane.

Molecular Properties

Compound Name9,9-dimethylxanthene;triphenylphosphane
PubChem CID175584517
Molecular FormulaC33H29OP
Molecular Weight472.57 g/mol
Exact Mass472.20
IUPAC Name9,9-dimethylxanthene;triphenylphosphane
SMILESCC1(C)c2ccccc2Oc2ccccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C15H14O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h1-15H;3-10H,1-2H3
InChIKeyRVAXYOFSGXBETC-UHFFFAOYSA-N
XLogP7.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethylxanthene;phenylphosphane
CID 155388268
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;9H-xanthene
CID 88764905
9,9-dimethyl-N-phenylxanthen-3-amine
CID 156524764
(7-diphenylphosphanyl-9,9-dimethylfluoren-2-yl)-diphenylphosphane
CID 86243607
N,N,9-trimethylxanthen-9-amine
CID 68833214
9,9-dimethylxanthene-2-sulfonyl chloride
CID 63669162
ethane;triphenylphosphane
CID 90942156
(9-methylxanthen-9-yl)methanol
CID 57435258
triphenylphosphane
CID 139056248
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-[4-(N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
CID 90365627
2-bromo-9,9-dimethyl-3-phenylxanthene
CID 164575078

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethylxanthene;triphenylphosphane?
The IUPAC name of 9,9-dimethylxanthene;triphenylphosphane (CID 175584517) is 9,9-dimethylxanthene;triphenylphosphane.
What is the SMILES notation for 9,9-dimethylxanthene;triphenylphosphane?
The canonical SMILES for 9,9-dimethylxanthene;triphenylphosphane is CC1(C)c2ccccc2Oc2ccccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 9,9-dimethylxanthene;triphenylphosphane?
The InChIKey is RVAXYOFSGXBETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C15H14O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h1-15H;3-10H,1-2H3.
What are the key properties of 9,9-dimethylxanthene;triphenylphosphane?
9,9-dimethylxanthene;triphenylphosphane has a molecular weight of 472.57 g/mol, XLogP of 7.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylxanthene;triphenylphosphane is sourced from PubChem (CID 175584517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).