2-[[2,6-bis(4-benzhydryl-2,6-dimethylphenyl)phenyl]-tert-butylphosphanyl]-N,N-dimethylaniline

C60H60NP — CID 166063709

IUPAC2-[[2,6-bis(4-benzhydryl-2,6-dimethylphenyl)phenyl]-tert-butylphosphanyl]-N,N-dimethylaniline
SMILESCc1cc(C(c2ccccc2)c2ccccc2)cc(C)c1-c1cccc(-c2c(C)cc(C(c3ccccc3)c3ccccc3)cc2C)c1P(c1ccccc1N(C)C)C(C)(C)C
InChIInChI=1S/C60H60NP/c1-41-37-49(57(45-25-14-10-15-26-45)46-27-16-11-17-28-46)38-42(2)55(41)51-33-24-34-52(59(51)62(60(5,6)7)54-36-23-22-35-53(54)61(8)9)56-43(3)39-50(40-44(56)4)58(47-29-18-12-19-30-47)48-31-20-13-21-32-48/h10-40,57-58H,1-9H3
InChIKeyFKWUNOUITWSHRQ-UHFFFAOYSA-N
MW826.12 g/mol
LogP14.91
Rot. Bonds11

About 2-[[2,6-bis(4-benzhydryl-2,6-dimethylphenyl)phenyl]-tert-butylphosphanyl]-N,N-dimethylaniline

2-[[2,6-bis(4-benzhydryl-2,6-dimethylphenyl)phenyl]-tert-butylphosphanyl]-N,N-dimethylaniline (PubChem CID 166063709) has the molecular formula C60H60NP and a molecular weight of 826.12 g/mol. Its IUPAC name is 2-[[2,6-bis(4-benzhydryl-2,6-dimethylphenyl)phenyl]-tert-butylphosphanyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[[2,6-bis(4-benzhydryl-2,6-dimethylphenyl)phenyl]-tert-butylphosphanyl]-N,N-dimethylaniline
PubChem CID166063709
Molecular FormulaC60H60NP
Molecular Weight826.12 g/mol
Exact Mass825.45
IUPAC Name2-[[2,6-bis(4-benzhydryl-2,6-dimethylphenyl)phenyl]-tert-butylphosphanyl]-N,N-dimethylaniline
SMILESCc1cc(C(c2ccccc2)c2ccccc2)cc(C)c1-c1cccc(-c2c(C)cc(C(c3ccccc3)c3ccccc3)cc2C)c1P(c1ccccc1N(C)C)C(C)(C)C
InChIInChI=1S/C60H60NP/c1-41-37-49(57(45-25-14-10-15-26-45)46-27-16-11-17-28-46)38-42(2)55(41)51-33-24-34-52(59(51)62(60(5,6)7)54-36-23-22-35-53(54)61(8)9)56-43(3)39-50(40-44(56)4)58(47-29-18-12-19-30-47)48-31-20-13-21-32-48/h10-40,57-58H,1-9H3
InChIKeyFKWUNOUITWSHRQ-UHFFFAOYSA-N
XLogP14.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.12
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-bis(4-benzhydryl-2,6-dimethylphenyl)phenyl]-tert-butylphosphanyl]-N,N-dimethylaniline?
The IUPAC name of 2-[[2,6-bis(4-benzhydryl-2,6-dimethylphenyl)phenyl]-tert-butylphosphanyl]-N,N-dimethylaniline (CID 166063709) is 2-[[2,6-bis(4-benzhydryl-2,6-dimethylphenyl)phenyl]-tert-butylphosphanyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[[2,6-bis(4-benzhydryl-2,6-dimethylphenyl)phenyl]-tert-butylphosphanyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[[2,6-bis(4-benzhydryl-2,6-dimethylphenyl)phenyl]-tert-butylphosphanyl]-N,N-dimethylaniline is Cc1cc(C(c2ccccc2)c2ccccc2)cc(C)c1-c1cccc(-c2c(C)cc(C(c3ccccc3)c3ccccc3)cc2C)c1P(c1ccccc1N(C)C)C(C)(C)C.
What is the InChIKey of 2-[[2,6-bis(4-benzhydryl-2,6-dimethylphenyl)phenyl]-tert-butylphosphanyl]-N,N-dimethylaniline?
The InChIKey is FKWUNOUITWSHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H60NP/c1-41-37-49(57(45-25-14-10-15-26-45)46-27-16-11-17-28-46)38-42(2)55(41)51-33-24-34-52(59(51)62(60(5,6)7)54-36-23-22-35-53(54)61(8)9)56-43(3)39-50(40-44(56)4)58(47-29-18-12-19-30-47)48-31-20-13-21-32-48/h10-40,57-58H,1-9H3.
What are the key properties of 2-[[2,6-bis(4-benzhydryl-2,6-dimethylphenyl)phenyl]-tert-butylphosphanyl]-N,N-dimethylaniline?
2-[[2,6-bis(4-benzhydryl-2,6-dimethylphenyl)phenyl]-tert-butylphosphanyl]-N,N-dimethylaniline has a molecular weight of 826.12 g/mol, XLogP of 14.91, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-bis(4-benzhydryl-2,6-dimethylphenyl)phenyl]-tert-butylphosphanyl]-N,N-dimethylaniline is sourced from PubChem (CID 166063709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).