10,10-dimethyl-4-phenyl-3,5-di(propan-2-yl)acridophosphine 5-oxide

C27H31OP — CID 134402630

IUPAC10,10-dimethyl-4-phenyl-3,5-di(propan-2-yl)acridophosphine 5-oxide
SMILESCC(C)c1ccc2c(c1-c1ccccc1)P(=O)(C(C)C)c1ccccc1C2(C)C
InChIInChI=1S/C27H31OP/c1-18(2)21-16-17-23-26(25(21)20-12-8-7-9-13-20)29(28,19(3)4)24-15-11-10-14-22(24)27(23,5)6/h7-19H,1-6H3
InChIKeyROVWICIVDFBWPJ-UHFFFAOYSA-N
MW402.52 g/mol
LogP6.84
Rot. Bonds3

About 10,10-dimethyl-4-phenyl-3,5-di(propan-2-yl)acridophosphine 5-oxide

10,10-dimethyl-4-phenyl-3,5-di(propan-2-yl)acridophosphine 5-oxide (PubChem CID 134402630) has the molecular formula C27H31OP and a molecular weight of 402.52 g/mol. Its IUPAC name is 10,10-dimethyl-4-phenyl-3,5-di(propan-2-yl)acridophosphine 5-oxide.

Molecular Properties

Compound Name10,10-dimethyl-4-phenyl-3,5-di(propan-2-yl)acridophosphine 5-oxide
PubChem CID134402630
Molecular FormulaC27H31OP
Molecular Weight402.52 g/mol
Exact Mass402.21
IUPAC Name10,10-dimethyl-4-phenyl-3,5-di(propan-2-yl)acridophosphine 5-oxide
SMILESCC(C)c1ccc2c(c1-c1ccccc1)P(=O)(C(C)C)c1ccccc1C2(C)C
InChIInChI=1S/C27H31OP/c1-18(2)21-16-17-23-26(25(21)20-12-8-7-9-13-20)29(28,19(3)4)24-15-11-10-14-22(24)27(23,5)6/h7-19H,1-6H3
InChIKeyROVWICIVDFBWPJ-UHFFFAOYSA-N
XLogP6.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 56.84
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

10,10-dimethyl-5-oxo-5-propan-2-ylacridophosphin-4-amine
CID 147847135
2'-methyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan] 4'-oxide
CID 135299826
2-methyl-3-phenyl-1,4-di(propan-2-yl)benzene
CID 154591625
5,10-dioxo-2,10-di(propan-2-yl)benzo[b][1,4]benzothiaphosphinin-1-amine
CID 126670409
2,4-diphenyl-1,3,5-tri(propan-2-yl)benzene
CID 158905708
1,2-diphenyl-3-propan-2-ylbenzene
CID 20568657
2-phenyl-3-propan-2-ylphenol
CID 54177325
3-phenyl-2,4-di(propan-2-yl)benzenesulfonic acid
CID 175728387
8,8,14,14-tetramethyl-11-pyridin-2-yl-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
CID 156655217
(2,3-diphenyl-4-propan-2-ylphenyl) dihydrogen phosphate
CID 150021932
1,3,5-triphenyl-2,4,6-tri(propan-2-yl)benzene
CID 175984465
2-phenyl-3,4-di(propan-2-yl)benzoic acid
CID 70035645

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-4-phenyl-3,5-di(propan-2-yl)acridophosphine 5-oxide?
The IUPAC name of 10,10-dimethyl-4-phenyl-3,5-di(propan-2-yl)acridophosphine 5-oxide (CID 134402630) is 10,10-dimethyl-4-phenyl-3,5-di(propan-2-yl)acridophosphine 5-oxide.
What is the SMILES notation for 10,10-dimethyl-4-phenyl-3,5-di(propan-2-yl)acridophosphine 5-oxide?
The canonical SMILES for 10,10-dimethyl-4-phenyl-3,5-di(propan-2-yl)acridophosphine 5-oxide is CC(C)c1ccc2c(c1-c1ccccc1)P(=O)(C(C)C)c1ccccc1C2(C)C.
What is the InChIKey of 10,10-dimethyl-4-phenyl-3,5-di(propan-2-yl)acridophosphine 5-oxide?
The InChIKey is ROVWICIVDFBWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31OP/c1-18(2)21-16-17-23-26(25(21)20-12-8-7-9-13-20)29(28,19(3)4)24-15-11-10-14-22(24)27(23,5)6/h7-19H,1-6H3.
What are the key properties of 10,10-dimethyl-4-phenyl-3,5-di(propan-2-yl)acridophosphine 5-oxide?
10,10-dimethyl-4-phenyl-3,5-di(propan-2-yl)acridophosphine 5-oxide has a molecular weight of 402.52 g/mol, XLogP of 6.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-4-phenyl-3,5-di(propan-2-yl)acridophosphine 5-oxide is sourced from PubChem (CID 134402630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).