5-[4-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide

C34H24F6NOP — CID 140898953

IUPAC5-[4-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide
SMILESCc1cc(N2c3ccccc3P(=O)(c3ccccc3)c3ccccc32)c(C)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C34H24F6NOP/c1-21-17-30(22(2)16-27(21)23-18-24(33(35,36)37)20-25(19-23)34(38,39)40)41-28-12-6-8-14-31(28)43(42,26-10-4-3-5-11-26)32-15-9-7-13-29(32)41/h3-20H,1-2H3
InChIKeyDPLXNWSZJQUNNT-UHFFFAOYSA-N
MW607.53 g/mol
LogP9.43
Rot. Bonds3

About 5-[4-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide

5-[4-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide (PubChem CID 140898953) has the molecular formula C34H24F6NOP and a molecular weight of 607.53 g/mol. Its IUPAC name is 5-[4-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide.

Molecular Properties

Compound Name5-[4-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide
PubChem CID140898953
Molecular FormulaC34H24F6NOP
Molecular Weight607.53 g/mol
Exact Mass607.15
IUPAC Name5-[4-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide
SMILESCc1cc(N2c3ccccc3P(=O)(c3ccccc3)c3ccccc32)c(C)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C34H24F6NOP/c1-21-17-30(22(2)16-27(21)23-18-24(33(35,36)37)20-25(19-23)34(38,39)40)41-28-12-6-8-14-31(28)43(42,26-10-4-3-5-11-26)32-15-9-7-13-29(32)41/h3-20H,1-2H3
InChIKeyDPLXNWSZJQUNNT-UHFFFAOYSA-N
XLogP9.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.53
LogP ≤ 59.43
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

5-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide;5-[2,5-dimethyl-4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile;5-[5-(3,5-diphenylphenyl)-2-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[6-(3,5-diphenylphenyl)-3-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 158432406
2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide
CID 102415355
3-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzoic acid
CID 87430681
9-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2,5-dimethylphenyl]-N,N-diphenylcarbazol-3-amine
CID 130354134
1,3-bis[3,5-bis(trifluoromethyl)phenyl]-2-methylbenzene
CID 163637967
11-methyl-8,14-diphenyl-8,14-bis(sulfanylidene)-5,17-bis(trifluoromethyl)-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 139428903
10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine
CID 102590349
2-methyl-1-phenyl-4-(trifluoromethyl)benzene;sulfanol
CID 174961722
4,11,18-trimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide
CID 139428899
(2Z)-1-phenyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]-4-[4-(trifluoromethyl)phenyl]-1λ5-phosphete 1-oxide
CID 177405135
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
1-[3-methyl-4-(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzene
CID 169072324

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide?
The IUPAC name of 5-[4-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide (CID 140898953) is 5-[4-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide.
What is the SMILES notation for 5-[4-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide?
The canonical SMILES for 5-[4-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide is Cc1cc(N2c3ccccc3P(=O)(c3ccccc3)c3ccccc32)c(C)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[4-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide?
The InChIKey is DPLXNWSZJQUNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24F6NOP/c1-21-17-30(22(2)16-27(21)23-18-24(33(35,36)37)20-25(19-23)34(38,39)40)41-28-12-6-8-14-31(28)43(42,26-10-4-3-5-11-26)32-15-9-7-13-29(32)41/h3-20H,1-2H3.
What are the key properties of 5-[4-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide?
5-[4-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide has a molecular weight of 607.53 g/mol, XLogP of 9.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide is sourced from PubChem (CID 140898953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).