3-(1,3,2-benzodioxaphosphol-2-yloxy)-4-[2-(1,3,2-benzodioxaphosphol-2-yloxy)naphthalen-1-yl]-N-(4-methylphenyl)naphthalene-2-carboxamide

C40H27NO7P2 — CID 18720378

IUPAC3-(1,3,2-benzodioxaphosphol-2-yloxy)-4-[2-(1,3,2-benzodioxaphosphol-2-yloxy)naphthalen-1-yl]-N-(4-methylphenyl)naphthalene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3c(-c3c(OP4Oc5ccccc5O4)ccc4ccccc34)c2OP2Oc3ccccc3O2)cc1
InChIInChI=1S/C40H27NO7P2/c1-25-18-21-28(22-19-25)41-40(42)31-24-27-11-3-5-13-30(27)38(39(31)48-50-45-34-16-8-9-17-35(34)46-50)37-29-12-4-2-10-26(29)20-23-36(37)47-49-43-32-14-6-7-15-33(32)44-49/h2-24H,1H3,(H,41,42)
InChIKeyOYJJXARCENLPBL-UHFFFAOYSA-N
MW695.60 g/mol
LogP11.37
Rot. Bonds7

About 3-(1,3,2-benzodioxaphosphol-2-yloxy)-4-[2-(1,3,2-benzodioxaphosphol-2-yloxy)naphthalen-1-yl]-N-(4-methylphenyl)naphthalene-2-carboxamide

3-(1,3,2-benzodioxaphosphol-2-yloxy)-4-[2-(1,3,2-benzodioxaphosphol-2-yloxy)naphthalen-1-yl]-N-(4-methylphenyl)naphthalene-2-carboxamide (PubChem CID 18720378) has the molecular formula C40H27NO7P2 and a molecular weight of 695.60 g/mol. Its IUPAC name is 3-(1,3,2-benzodioxaphosphol-2-yloxy)-4-[2-(1,3,2-benzodioxaphosphol-2-yloxy)naphthalen-1-yl]-N-(4-methylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(1,3,2-benzodioxaphosphol-2-yloxy)-4-[2-(1,3,2-benzodioxaphosphol-2-yloxy)naphthalen-1-yl]-N-(4-methylphenyl)naphthalene-2-carboxamide
PubChem CID18720378
Molecular FormulaC40H27NO7P2
Molecular Weight695.60 g/mol
Exact Mass695.13
IUPAC Name3-(1,3,2-benzodioxaphosphol-2-yloxy)-4-[2-(1,3,2-benzodioxaphosphol-2-yloxy)naphthalen-1-yl]-N-(4-methylphenyl)naphthalene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3c(-c3c(OP4Oc5ccccc5O4)ccc4ccccc34)c2OP2Oc3ccccc3O2)cc1
InChIInChI=1S/C40H27NO7P2/c1-25-18-21-28(22-19-25)41-40(42)31-24-27-11-3-5-13-30(27)38(39(31)48-50-45-34-16-8-9-17-35(34)46-50)37-29-12-4-2-10-26(29)20-23-36(37)47-49-43-32-14-6-7-15-33(32)44-49/h2-24H,1H3,(H,41,42)
InChIKeyOYJJXARCENLPBL-UHFFFAOYSA-N
XLogP11.37
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.60
LogP ≤ 511.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(1,3,2-benzodioxaphosphol-2-yloxy)-4-[2-(1,3,2-benzodioxaphosphol-2-yloxy)naphthalen-1-yl]-N-(4-methylphenyl)naphthalene-2-carboxamide 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-[1-[2-(4-oxobenzo[g][1,3,2]benzodioxaphosphinin-2-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxybenzo[g][1,3,2]benzodioxaphosphinin-4-one
CID 142213193
3-(4-methylphenyl)-2-[1-[2-[[3-(4-methylphenyl)-4-oxo-1,3,2-benzoxazaphosphinin-2-yl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-benzoxazaphosphinin-4-one
CID 20609436
diamino [1-(2-dinitrosophosphanyloxynaphthalen-1-yl)-3-[(4-methylphenyl)methylcarbamoyl]naphthalen-2-yl] phosphite
CID 18720379
3,3-bis(4-methoxyphenyl)-N-(4-methylphenyl)benzo[f]chromene-5-carboxamide
CID 3124843
ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide
CID 143289888
N-(4-anthracen-9-ylphenyl)propanamide
CID 168954302
2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide
CID 4276831
3-methyl-N-phenylnaphthalene-2-carboxamide
CID 90742280
N-(4-triethoxysilylphenyl)anthracene-1-carboxamide
CID 89297065
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide
CID 16650715
1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea
CID 58058387

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,2-benzodioxaphosphol-2-yloxy)-4-[2-(1,3,2-benzodioxaphosphol-2-yloxy)naphthalen-1-yl]-N-(4-methylphenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-(1,3,2-benzodioxaphosphol-2-yloxy)-4-[2-(1,3,2-benzodioxaphosphol-2-yloxy)naphthalen-1-yl]-N-(4-methylphenyl)naphthalene-2-carboxamide (CID 18720378) is 3-(1,3,2-benzodioxaphosphol-2-yloxy)-4-[2-(1,3,2-benzodioxaphosphol-2-yloxy)naphthalen-1-yl]-N-(4-methylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-(1,3,2-benzodioxaphosphol-2-yloxy)-4-[2-(1,3,2-benzodioxaphosphol-2-yloxy)naphthalen-1-yl]-N-(4-methylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-(1,3,2-benzodioxaphosphol-2-yloxy)-4-[2-(1,3,2-benzodioxaphosphol-2-yloxy)naphthalen-1-yl]-N-(4-methylphenyl)naphthalene-2-carboxamide is Cc1ccc(NC(=O)c2cc3ccccc3c(-c3c(OP4Oc5ccccc5O4)ccc4ccccc34)c2OP2Oc3ccccc3O2)cc1.
What is the InChIKey of 3-(1,3,2-benzodioxaphosphol-2-yloxy)-4-[2-(1,3,2-benzodioxaphosphol-2-yloxy)naphthalen-1-yl]-N-(4-methylphenyl)naphthalene-2-carboxamide?
The InChIKey is OYJJXARCENLPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO7P2/c1-25-18-21-28(22-19-25)41-40(42)31-24-27-11-3-5-13-30(27)38(39(31)48-50-45-34-16-8-9-17-35(34)46-50)37-29-12-4-2-10-26(29)20-23-36(37)47-49-43-32-14-6-7-15-33(32)44-49/h2-24H,1H3,(H,41,42).
What are the key properties of 3-(1,3,2-benzodioxaphosphol-2-yloxy)-4-[2-(1,3,2-benzodioxaphosphol-2-yloxy)naphthalen-1-yl]-N-(4-methylphenyl)naphthalene-2-carboxamide?
3-(1,3,2-benzodioxaphosphol-2-yloxy)-4-[2-(1,3,2-benzodioxaphosphol-2-yloxy)naphthalen-1-yl]-N-(4-methylphenyl)naphthalene-2-carboxamide has a molecular weight of 695.60 g/mol, XLogP of 11.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,2-benzodioxaphosphol-2-yloxy)-4-[2-(1,3,2-benzodioxaphosphol-2-yloxy)naphthalen-1-yl]-N-(4-methylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 18720378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).