1,1'-biphenyl;4-bis(2,3,5,6-tetramethylphenyl)phosphanylphenol

C38H41OP — CID 172825186

IUPAC1,1'-biphenyl;4-bis(2,3,5,6-tetramethylphenyl)phosphanylphenol
SMILESCc1cc(C)c(C)c(P(c2ccc(O)cc2)c2c(C)c(C)cc(C)c2C)c1C.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H31OP.C12H10/c1-15-13-16(2)20(6)25(19(15)5)28(24-11-9-23(27)10-12-24)26-21(7)17(3)14-18(4)22(26)8;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h9-14,27H,1-8H3;1-10H
InChIKeyUTNCXZRMWUZPNI-UHFFFAOYSA-N
MW544.72 g/mol
LogP8.97
Rot. Bonds4

About 1,1'-biphenyl;4-bis(2,3,5,6-tetramethylphenyl)phosphanylphenol

1,1'-biphenyl;4-bis(2,3,5,6-tetramethylphenyl)phosphanylphenol (PubChem CID 172825186) has the molecular formula C38H41OP and a molecular weight of 544.72 g/mol. Its IUPAC name is 1,1'-biphenyl;4-bis(2,3,5,6-tetramethylphenyl)phosphanylphenol.

Molecular Properties

Compound Name1,1'-biphenyl;4-bis(2,3,5,6-tetramethylphenyl)phosphanylphenol
PubChem CID172825186
Molecular FormulaC38H41OP
Molecular Weight544.72 g/mol
Exact Mass544.29
IUPAC Name1,1'-biphenyl;4-bis(2,3,5,6-tetramethylphenyl)phosphanylphenol
SMILESCc1cc(C)c(C)c(P(c2ccc(O)cc2)c2c(C)c(C)cc(C)c2C)c1C.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H31OP.C12H10/c1-15-13-16(2)20(6)25(19(15)5)28(24-11-9-23(27)10-12-24)26-21(7)17(3)14-18(4)22(26)8;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h9-14,27H,1-8H3;1-10H
InChIKeyUTNCXZRMWUZPNI-UHFFFAOYSA-N
XLogP8.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.72
LogP ≤ 58.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;4-bis(2,3,5,6-tetramethylphenyl)phosphanylphenol?
The IUPAC name of 1,1'-biphenyl;4-bis(2,3,5,6-tetramethylphenyl)phosphanylphenol (CID 172825186) is 1,1'-biphenyl;4-bis(2,3,5,6-tetramethylphenyl)phosphanylphenol.
What is the SMILES notation for 1,1'-biphenyl;4-bis(2,3,5,6-tetramethylphenyl)phosphanylphenol?
The canonical SMILES for 1,1'-biphenyl;4-bis(2,3,5,6-tetramethylphenyl)phosphanylphenol is Cc1cc(C)c(C)c(P(c2ccc(O)cc2)c2c(C)c(C)cc(C)c2C)c1C.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;4-bis(2,3,5,6-tetramethylphenyl)phosphanylphenol?
The InChIKey is UTNCXZRMWUZPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31OP.C12H10/c1-15-13-16(2)20(6)25(19(15)5)28(24-11-9-23(27)10-12-24)26-21(7)17(3)14-18(4)22(26)8;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h9-14,27H,1-8H3;1-10H.
What are the key properties of 1,1'-biphenyl;4-bis(2,3,5,6-tetramethylphenyl)phosphanylphenol?
1,1'-biphenyl;4-bis(2,3,5,6-tetramethylphenyl)phosphanylphenol has a molecular weight of 544.72 g/mol, XLogP of 8.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;4-bis(2,3,5,6-tetramethylphenyl)phosphanylphenol is sourced from PubChem (CID 172825186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).