1-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2,3-diphenylphosphirene

C38H35P — CID 101269053

IUPAC1-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2,3-diphenylphosphirene
SMILESCc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2P2C(c3ccccc3)=C2c2ccccc2)c(C)c1
InChIInChI=1S/C38H35P/c1-24-20-26(3)34(27(4)21-24)32-18-13-19-33(35-28(5)22-25(2)23-29(35)6)38(32)39-36(30-14-9-7-10-15-30)37(39)31-16-11-8-12-17-31/h7-23H,1-6H3
InChIKeyFPXMZENYVWMSHA-UHFFFAOYSA-N
MW522.67 g/mol
LogP10.52
Rot. Bonds5

About 1-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2,3-diphenylphosphirene

1-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2,3-diphenylphosphirene (PubChem CID 101269053) has the molecular formula C38H35P and a molecular weight of 522.67 g/mol. Its IUPAC name is 1-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2,3-diphenylphosphirene.

Molecular Properties

Compound Name1-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2,3-diphenylphosphirene
PubChem CID101269053
Molecular FormulaC38H35P
Molecular Weight522.67 g/mol
Exact Mass522.25
IUPAC Name1-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2,3-diphenylphosphirene
SMILESCc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2P2C(c3ccccc3)=C2c2ccccc2)c(C)c1
InChIInChI=1S/C38H35P/c1-24-20-26(3)34(27(4)21-24)32-18-13-19-33(35-28(5)22-25(2)23-29(35)6)38(32)39-36(30-14-9-7-10-15-30)37(39)31-16-11-8-12-17-31/h7-23H,1-6H3
InChIKeyFPXMZENYVWMSHA-UHFFFAOYSA-N
XLogP10.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.67
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
CID 137158148
CID 137158148
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+))
CID 139162852
4-phenyl-2,6-bis(2,4,6-trimethylphenyl)phenol
CID 140656741
2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
CID 132518583
CID 134905872
CID 134905872
1,2,5-trimethyl-3-phenylbenzene;hydrate
CID 130423762
2-[2-[[2,6-bis(2,4,6-trimethylphenyl)phenyl]ditellanyl]-3-(2,4,6-trimethylphenyl)phenyl]-1,3,5-trimethylbenzene
CID 101453137
bis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+)
CID 139137061
hydrogen sulfite;sulfane;1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 174726778
1,3,5-trimethyl-2-(2-phosphorosophenyl)benzene
CID 68744972

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2,3-diphenylphosphirene?
The IUPAC name of 1-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2,3-diphenylphosphirene (CID 101269053) is 1-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2,3-diphenylphosphirene.
What is the SMILES notation for 1-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2,3-diphenylphosphirene?
The canonical SMILES for 1-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2,3-diphenylphosphirene is Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2P2C(c3ccccc3)=C2c2ccccc2)c(C)c1.
What is the InChIKey of 1-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2,3-diphenylphosphirene?
The InChIKey is FPXMZENYVWMSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35P/c1-24-20-26(3)34(27(4)21-24)32-18-13-19-33(35-28(5)22-25(2)23-29(35)6)38(32)39-36(30-14-9-7-10-15-30)37(39)31-16-11-8-12-17-31/h7-23H,1-6H3.
What are the key properties of 1-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2,3-diphenylphosphirene?
1-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2,3-diphenylphosphirene has a molecular weight of 522.67 g/mol, XLogP of 10.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2,3-diphenylphosphirene is sourced from PubChem (CID 101269053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).