N,N-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanyl-3,5-bis(2,4,6-trimethylphenyl)aniline

C56H67NO2P2 — CID 15441201

IUPACN,N-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanyl-3,5-bis(2,4,6-trimethylphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2cc(-c3c(C)cc(C)cc3C)c(/P=P/c3c(C(C)(C)C)cc(C(C)(C)C)cc3C(C)(C)C)c(-c3c(C)cc(C)cc3C)c2)cc1
InChIInChI=1S/C56H67NO2P2/c1-34-26-36(3)50(37(4)27-34)46-32-43(57(41-18-22-44(58-16)23-19-41)42-20-24-45(59-17)25-21-42)33-47(51-38(5)28-35(2)29-39(51)6)52(46)60-61-53-48(55(10,11)12)30-40(54(7,8)9)31-49(53)56(13,14)15/h18-33H,1-17H3
InChIKeyDVSVAKBUIVYZFV-UHFFFAOYSA-N
MW848.11 g/mol
LogP16.01
Rot. Bonds9

About N,N-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanyl-3,5-bis(2,4,6-trimethylphenyl)aniline

N,N-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanyl-3,5-bis(2,4,6-trimethylphenyl)aniline (PubChem CID 15441201) has the molecular formula C56H67NO2P2 and a molecular weight of 848.11 g/mol. Its IUPAC name is N,N-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanyl-3,5-bis(2,4,6-trimethylphenyl)aniline.

Molecular Properties

Compound NameN,N-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanyl-3,5-bis(2,4,6-trimethylphenyl)aniline
PubChem CID15441201
Molecular FormulaC56H67NO2P2
Molecular Weight848.11 g/mol
Exact Mass847.46
IUPAC NameN,N-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanyl-3,5-bis(2,4,6-trimethylphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2cc(-c3c(C)cc(C)cc3C)c(/P=P/c3c(C(C)(C)C)cc(C(C)(C)C)cc3C(C)(C)C)c(-c3c(C)cc(C)cc3C)c2)cc1
InChIInChI=1S/C56H67NO2P2/c1-34-26-36(3)50(37(4)27-34)46-32-43(57(41-18-22-44(58-16)23-19-41)42-20-24-45(59-17)25-21-42)33-47(51-38(5)28-35(2)29-39(51)6)52(46)60-61-53-48(55(10,11)12)30-40(54(7,8)9)31-49(53)56(13,14)15/h18-33H,1-17H3
InChIKeyDVSVAKBUIVYZFV-UHFFFAOYSA-N
XLogP16.01
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.11
LogP ≤ 516.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanyl-3,5-bis(2,4,6-trimethylphenyl)aniline?
The IUPAC name of N,N-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanyl-3,5-bis(2,4,6-trimethylphenyl)aniline (CID 15441201) is N,N-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanyl-3,5-bis(2,4,6-trimethylphenyl)aniline.
What is the SMILES notation for N,N-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanyl-3,5-bis(2,4,6-trimethylphenyl)aniline?
The canonical SMILES for N,N-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanyl-3,5-bis(2,4,6-trimethylphenyl)aniline is COc1ccc(N(c2ccc(OC)cc2)c2cc(-c3c(C)cc(C)cc3C)c(/P=P/c3c(C(C)(C)C)cc(C(C)(C)C)cc3C(C)(C)C)c(-c3c(C)cc(C)cc3C)c2)cc1.
What is the InChIKey of N,N-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanyl-3,5-bis(2,4,6-trimethylphenyl)aniline?
The InChIKey is DVSVAKBUIVYZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H67NO2P2/c1-34-26-36(3)50(37(4)27-34)46-32-43(57(41-18-22-44(58-16)23-19-41)42-20-24-45(59-17)25-21-42)33-47(51-38(5)28-35(2)29-39(51)6)52(46)60-61-53-48(55(10,11)12)30-40(54(7,8)9)31-49(53)56(13,14)15/h18-33H,1-17H3.
What are the key properties of N,N-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanyl-3,5-bis(2,4,6-trimethylphenyl)aniline?
N,N-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanyl-3,5-bis(2,4,6-trimethylphenyl)aniline has a molecular weight of 848.11 g/mol, XLogP of 16.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanyl-3,5-bis(2,4,6-trimethylphenyl)aniline is sourced from PubChem (CID 15441201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).