10-[4-[1-(4-diphenylphosphorylphenyl)cyclohexyl]phenyl]phenoxazine

C42H36NO2P — CID 147962133

IUPAC10-[4-[1-(4-diphenylphosphorylphenyl)cyclohexyl]phenyl]phenoxazine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(C2(c3ccc(N4c5ccccc5Oc5ccccc54)cc3)CCCCC2)cc1
InChIInChI=1S/C42H36NO2P/c44-46(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-28-24-33(25-29-37)42(30-12-3-13-31-42)32-22-26-34(27-23-32)43-38-18-8-10-20-40(38)45-41-21-11-9-19-39(41)43/h1-2,4-11,14-29H,3,12-13,30-31H2
InChIKeyIPRPWMCLFYOONY-UHFFFAOYSA-N
MW617.73 g/mol
LogP10.15
Rot. Bonds6

About 10-[4-[1-(4-diphenylphosphorylphenyl)cyclohexyl]phenyl]phenoxazine

10-[4-[1-(4-diphenylphosphorylphenyl)cyclohexyl]phenyl]phenoxazine (PubChem CID 147962133) has the molecular formula C42H36NO2P and a molecular weight of 617.73 g/mol. Its IUPAC name is 10-[4-[1-(4-diphenylphosphorylphenyl)cyclohexyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[1-(4-diphenylphosphorylphenyl)cyclohexyl]phenyl]phenoxazine
PubChem CID147962133
Molecular FormulaC42H36NO2P
Molecular Weight617.73 g/mol
Exact Mass617.25
IUPAC Name10-[4-[1-(4-diphenylphosphorylphenyl)cyclohexyl]phenyl]phenoxazine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(C2(c3ccc(N4c5ccccc5Oc5ccccc54)cc3)CCCCC2)cc1
InChIInChI=1S/C42H36NO2P/c44-46(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-28-24-33(25-29-37)42(30-12-3-13-31-42)32-22-26-34(27-23-32)43-38-18-8-10-20-40(38)45-41-21-11-9-19-39(41)43/h1-2,4-11,14-29H,3,12-13,30-31H2
InChIKeyIPRPWMCLFYOONY-UHFFFAOYSA-N
XLogP10.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.73
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[1-(4-diphenylphosphorylphenyl)cyclohexyl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[1-(4-diphenylphosphorylphenyl)cyclohexyl]phenyl]phenoxazine (CID 147962133) is 10-[4-[1-(4-diphenylphosphorylphenyl)cyclohexyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[1-(4-diphenylphosphorylphenyl)cyclohexyl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[1-(4-diphenylphosphorylphenyl)cyclohexyl]phenyl]phenoxazine is O=P(c1ccccc1)(c1ccccc1)c1ccc(C2(c3ccc(N4c5ccccc5Oc5ccccc54)cc3)CCCCC2)cc1.
What is the InChIKey of 10-[4-[1-(4-diphenylphosphorylphenyl)cyclohexyl]phenyl]phenoxazine?
The InChIKey is IPRPWMCLFYOONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36NO2P/c44-46(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-28-24-33(25-29-37)42(30-12-3-13-31-42)32-22-26-34(27-23-32)43-38-18-8-10-20-40(38)45-41-21-11-9-19-39(41)43/h1-2,4-11,14-29H,3,12-13,30-31H2.
What are the key properties of 10-[4-[1-(4-diphenylphosphorylphenyl)cyclohexyl]phenyl]phenoxazine?
10-[4-[1-(4-diphenylphosphorylphenyl)cyclohexyl]phenyl]phenoxazine has a molecular weight of 617.73 g/mol, XLogP of 10.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[1-(4-diphenylphosphorylphenyl)cyclohexyl]phenyl]phenoxazine is sourced from PubChem (CID 147962133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).