4-methoxy-2-(4-methoxy-1-phenyl-2,3-dihydro-1,3-benzazaphosphol-2-yl)-1-phenyl-2,3-dihydro-1,3-benzazaphosphole

C28H26N2O2P2 — CID 134603332

IUPAC4-methoxy-2-(4-methoxy-1-phenyl-2,3-dihydro-1,3-benzazaphosphol-2-yl)-1-phenyl-2,3-dihydro-1,3-benzazaphosphole
SMILESCOc1cccc2c1PC(C1Pc3c(OC)cccc3N1c1ccccc1)N2c1ccccc1
InChIInChI=1S/C28H26N2O2P2/c1-31-23-17-9-15-21-25(23)33-27(29(21)19-11-5-3-6-12-19)28-30(20-13-7-4-8-14-20)22-16-10-18-24(32-2)26(22)34-28/h3-18,27-28,33-34H,1-2H3
InChIKeySTIUDTFHSAJOLO-UHFFFAOYSA-N
MW484.48 g/mol
LogP5.97
Rot. Bonds5

About 4-methoxy-2-(4-methoxy-1-phenyl-2,3-dihydro-1,3-benzazaphosphol-2-yl)-1-phenyl-2,3-dihydro-1,3-benzazaphosphole

4-methoxy-2-(4-methoxy-1-phenyl-2,3-dihydro-1,3-benzazaphosphol-2-yl)-1-phenyl-2,3-dihydro-1,3-benzazaphosphole (PubChem CID 134603332) has the molecular formula C28H26N2O2P2 and a molecular weight of 484.48 g/mol. Its IUPAC name is 4-methoxy-2-(4-methoxy-1-phenyl-2,3-dihydro-1,3-benzazaphosphol-2-yl)-1-phenyl-2,3-dihydro-1,3-benzazaphosphole.

Molecular Properties

Compound Name4-methoxy-2-(4-methoxy-1-phenyl-2,3-dihydro-1,3-benzazaphosphol-2-yl)-1-phenyl-2,3-dihydro-1,3-benzazaphosphole
PubChem CID134603332
Molecular FormulaC28H26N2O2P2
Molecular Weight484.48 g/mol
Exact Mass484.15
IUPAC Name4-methoxy-2-(4-methoxy-1-phenyl-2,3-dihydro-1,3-benzazaphosphol-2-yl)-1-phenyl-2,3-dihydro-1,3-benzazaphosphole
SMILESCOc1cccc2c1PC(C1Pc3c(OC)cccc3N1c1ccccc1)N2c1ccccc1
InChIInChI=1S/C28H26N2O2P2/c1-31-23-17-9-15-21-25(23)33-27(29(21)19-11-5-3-6-12-19)28-30(20-13-7-4-8-14-20)22-16-10-18-24(32-2)26(22)34-28/h3-18,27-28,33-34H,1-2H3
InChIKeySTIUDTFHSAJOLO-UHFFFAOYSA-N
XLogP5.97
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.48
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-2-(4-methoxy-1-phenyl-2,3-dihydro-1,3-benzazaphosphol-2-yl)-1-phenyl-2,3-dihydro-1,3-benzazaphosphole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Dicyclohexylphosphino-3-methoxy-N-methyl-N-phenylbenzenamine
CID 71725627
[1-(3-Methoxyphenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide
CID 10768602
4-N-cyclohexa-1,3,4,5-tetraen-1-yl-1-N-(3-methoxyphenyl)-1-N-methyl-4-N-phenylbenzene-1,4-diamine
CID 58281734
1,3-bis(3-methoxyphenyl)-2H-benzimidazole
CID 59023647
1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine
CID 59431755
N-ethyl-3-phenoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline;N-ethyl-3-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]aniline
CID 68729578
[(3R)-1-(3-methoxyphenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide
CID 88382141
(10aS)-1,1-bis(2-methoxyphenyl)-10,10-diphenyl-2,3,4,10a-tetrahydro-[1,3]azaphosphinino[1,2-a][1,3]benzazaphosphole-1,10-diium
CID 129036863
3-tert-butyl-4-methoxy-1-phenyl-2H-1,3lambda5-benzazaphosphole 3-oxide
CID 134562397
3-tert-butyl-4-methoxy-1-phenyl-2H-1,3-benzazaphosphole
CID 134562504
(2S,3S)-3-tert-butyl-4-methoxy-1-phenyl-2-propan-2-yl-2H-1,3-benzazaphosphole
CID 134572607
(3S)-3-tert-butyl-2-[(3S)-3-tert-butyl-4-methoxy-1-phenyl-2H-1,3-benzazaphosphol-2-yl]-4-methoxy-1-phenyl-2H-1,3-benzazaphosphole
CID 134572609

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methoxy-1-phenyl-2,3-dihydro-1,3-benzazaphosphol-2-yl)-1-phenyl-2,3-dihydro-1,3-benzazaphosphole?
The IUPAC name of 4-methoxy-2-(4-methoxy-1-phenyl-2,3-dihydro-1,3-benzazaphosphol-2-yl)-1-phenyl-2,3-dihydro-1,3-benzazaphosphole (CID 134603332) is 4-methoxy-2-(4-methoxy-1-phenyl-2,3-dihydro-1,3-benzazaphosphol-2-yl)-1-phenyl-2,3-dihydro-1,3-benzazaphosphole.
What is the SMILES notation for 4-methoxy-2-(4-methoxy-1-phenyl-2,3-dihydro-1,3-benzazaphosphol-2-yl)-1-phenyl-2,3-dihydro-1,3-benzazaphosphole?
The canonical SMILES for 4-methoxy-2-(4-methoxy-1-phenyl-2,3-dihydro-1,3-benzazaphosphol-2-yl)-1-phenyl-2,3-dihydro-1,3-benzazaphosphole is COc1cccc2c1PC(C1Pc3c(OC)cccc3N1c1ccccc1)N2c1ccccc1.
What is the InChIKey of 4-methoxy-2-(4-methoxy-1-phenyl-2,3-dihydro-1,3-benzazaphosphol-2-yl)-1-phenyl-2,3-dihydro-1,3-benzazaphosphole?
The InChIKey is STIUDTFHSAJOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2P2/c1-31-23-17-9-15-21-25(23)33-27(29(21)19-11-5-3-6-12-19)28-30(20-13-7-4-8-14-20)22-16-10-18-24(32-2)26(22)34-28/h3-18,27-28,33-34H,1-2H3.
What are the key properties of 4-methoxy-2-(4-methoxy-1-phenyl-2,3-dihydro-1,3-benzazaphosphol-2-yl)-1-phenyl-2,3-dihydro-1,3-benzazaphosphole?
4-methoxy-2-(4-methoxy-1-phenyl-2,3-dihydro-1,3-benzazaphosphol-2-yl)-1-phenyl-2,3-dihydro-1,3-benzazaphosphole has a molecular weight of 484.48 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methoxy-1-phenyl-2,3-dihydro-1,3-benzazaphosphol-2-yl)-1-phenyl-2,3-dihydro-1,3-benzazaphosphole is sourced from PubChem (CID 134603332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).