N,N-bis(diphenylphosphanyl)-3,4-dimethoxyaniline

C32H29NO2P2 — CID 101498808

IUPACN,N-bis(diphenylphosphanyl)-3,4-dimethoxyaniline
SMILESCOc1ccc(N(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C32H29NO2P2/c1-34-31-24-23-26(25-32(31)35-2)33(36(27-15-7-3-8-16-27)28-17-9-4-10-18-28)37(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-25H,1-2H3
InChIKeyHNTPBQCINYWRNP-UHFFFAOYSA-N
MW521.54 g/mol
LogP6.61
Rot. Bonds9

About N,N-bis(diphenylphosphanyl)-3,4-dimethoxyaniline

N,N-bis(diphenylphosphanyl)-3,4-dimethoxyaniline (PubChem CID 101498808) has the molecular formula C32H29NO2P2 and a molecular weight of 521.54 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanyl)-3,4-dimethoxyaniline.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanyl)-3,4-dimethoxyaniline
PubChem CID101498808
Molecular FormulaC32H29NO2P2
Molecular Weight521.54 g/mol
Exact Mass521.17
IUPAC NameN,N-bis(diphenylphosphanyl)-3,4-dimethoxyaniline
SMILESCOc1ccc(N(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C32H29NO2P2/c1-34-31-24-23-26(25-32(31)35-2)33(36(27-15-7-3-8-16-27)28-17-9-4-10-18-28)37(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-25H,1-2H3
InChIKeyHNTPBQCINYWRNP-UHFFFAOYSA-N
XLogP6.61
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.54
LogP ≤ 56.61
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

4-[4-[bis(diphenylphosphanyl)amino]phenoxy]-N,N-bis(diphenylphosphanyl)aniline
CID 118584651
N-(3,4-dimethoxyphenyl)-N-methylhydroxylamine
CID 88903555
N,N-diethyl-3,4-dimethoxyaniline
CID 82538204
2-(3,4-dimethoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127834
8-N,23-N-bis(3,4-dimethoxyphenyl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
CID 155362313
3,4-dimethoxy-N-(4-methylphenyl)-N-propan-2-ylaniline
CID 177401389
N,N-bis(diphenylphosphanyl)-4-ethenylaniline
CID 130350038
N-(chloromethyl)-3,4-dimethoxy-N-methylaniline
CID 115262807
phenyl-bis(2,4,6-trimethoxyphenyl)phosphane
CID 54206257
(2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane
CID 173003302
(2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane
CID 25059236
3-methoxy-N,4-dimethyl-N-phenylaniline
CID 70967371

Frequently Asked Questions

What is the IUPAC name of N,N-bis(diphenylphosphanyl)-3,4-dimethoxyaniline?
The IUPAC name of N,N-bis(diphenylphosphanyl)-3,4-dimethoxyaniline (CID 101498808) is N,N-bis(diphenylphosphanyl)-3,4-dimethoxyaniline.
What is the SMILES notation for N,N-bis(diphenylphosphanyl)-3,4-dimethoxyaniline?
The canonical SMILES for N,N-bis(diphenylphosphanyl)-3,4-dimethoxyaniline is COc1ccc(N(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1OC.
What is the InChIKey of N,N-bis(diphenylphosphanyl)-3,4-dimethoxyaniline?
The InChIKey is HNTPBQCINYWRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO2P2/c1-34-31-24-23-26(25-32(31)35-2)33(36(27-15-7-3-8-16-27)28-17-9-4-10-18-28)37(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-25H,1-2H3.
What are the key properties of N,N-bis(diphenylphosphanyl)-3,4-dimethoxyaniline?
N,N-bis(diphenylphosphanyl)-3,4-dimethoxyaniline has a molecular weight of 521.54 g/mol, XLogP of 6.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanyl)-3,4-dimethoxyaniline is sourced from PubChem (CID 101498808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).