diamino [1-(2-dinitrosophosphanyloxynaphthalen-1-yl)-3-[(4-methylphenyl)methylcarbamoyl]naphthalen-2-yl] phosphite

C29H25N5O7P2 — CID 18720379

IUPACdiamino [1-(2-dinitrosophosphanyloxynaphthalen-1-yl)-3-[(4-methylphenyl)methylcarbamoyl]naphthalen-2-yl] phosphite
SMILESCc1ccc(CNC(=O)c2cc3ccccc3c(-c3c(OP(N=O)N=O)ccc4ccccc34)c2OP(ON)ON)cc1
InChIInChI=1S/C29H25N5O7P2/c1-18-10-12-19(13-11-18)17-32-29(35)24-16-21-7-3-5-9-23(21)27(28(24)39-43(40-30)41-31)26-22-8-4-2-6-20(22)14-15-25(26)38-42(33-36)34-37/h2-16H,17,30-31H2,1H3,(H,32,35)
InChIKeyYJGHQIQJTXHCMH-UHFFFAOYSA-N
MW617.50 g/mol
LogP7.42
Rot. Bonds12

About diamino [1-(2-dinitrosophosphanyloxynaphthalen-1-yl)-3-[(4-methylphenyl)methylcarbamoyl]naphthalen-2-yl] phosphite

diamino [1-(2-dinitrosophosphanyloxynaphthalen-1-yl)-3-[(4-methylphenyl)methylcarbamoyl]naphthalen-2-yl] phosphite (PubChem CID 18720379) has the molecular formula C29H25N5O7P2 and a molecular weight of 617.50 g/mol. Its IUPAC name is diamino [1-(2-dinitrosophosphanyloxynaphthalen-1-yl)-3-[(4-methylphenyl)methylcarbamoyl]naphthalen-2-yl] phosphite.

Molecular Properties

Compound Namediamino [1-(2-dinitrosophosphanyloxynaphthalen-1-yl)-3-[(4-methylphenyl)methylcarbamoyl]naphthalen-2-yl] phosphite
PubChem CID18720379
Molecular FormulaC29H25N5O7P2
Molecular Weight617.50 g/mol
Exact Mass617.12
IUPAC Namediamino [1-(2-dinitrosophosphanyloxynaphthalen-1-yl)-3-[(4-methylphenyl)methylcarbamoyl]naphthalen-2-yl] phosphite
SMILESCc1ccc(CNC(=O)c2cc3ccccc3c(-c3c(OP(N=O)N=O)ccc4ccccc34)c2OP(ON)ON)cc1
InChIInChI=1S/C29H25N5O7P2/c1-18-10-12-19(13-11-18)17-32-29(35)24-16-21-7-3-5-9-23(21)27(28(24)39-43(40-30)41-31)26-22-8-4-2-6-20(22)14-15-25(26)38-42(33-36)34-37/h2-16H,17,30-31H2,1H3,(H,32,35)
InChIKeyYJGHQIQJTXHCMH-UHFFFAOYSA-N
XLogP7.42
TPSA176.92 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500617.50
LogP ≤ 57.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze diamino [1-(2-dinitrosophosphanyloxynaphthalen-1-yl)-3-[(4-methylphenyl)methylcarbamoyl]naphthalen-2-yl] phosphite 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

[4-[(4-methylphenyl)methyl]phenyl]methyl 3-diphenylphosphanyloxy-4-(2-diphenylphosphanyloxynaphthalen-1-yl)naphthalene-2-carboxylate
CID 20653718
N-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide
CID 11783108
N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578030
1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 110694470
methyl N-[[4-[[(2-naphthalen-2-ylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 18729745
2,4-dimethoxy-3-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 110763344
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
2-amino-3,4,5-trimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 110181256
3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide
CID 17320425
3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 103891536
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 17320376
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679

Frequently Asked Questions

What is the IUPAC name of diamino [1-(2-dinitrosophosphanyloxynaphthalen-1-yl)-3-[(4-methylphenyl)methylcarbamoyl]naphthalen-2-yl] phosphite?
The IUPAC name of diamino [1-(2-dinitrosophosphanyloxynaphthalen-1-yl)-3-[(4-methylphenyl)methylcarbamoyl]naphthalen-2-yl] phosphite (CID 18720379) is diamino [1-(2-dinitrosophosphanyloxynaphthalen-1-yl)-3-[(4-methylphenyl)methylcarbamoyl]naphthalen-2-yl] phosphite.
What is the SMILES notation for diamino [1-(2-dinitrosophosphanyloxynaphthalen-1-yl)-3-[(4-methylphenyl)methylcarbamoyl]naphthalen-2-yl] phosphite?
The canonical SMILES for diamino [1-(2-dinitrosophosphanyloxynaphthalen-1-yl)-3-[(4-methylphenyl)methylcarbamoyl]naphthalen-2-yl] phosphite is Cc1ccc(CNC(=O)c2cc3ccccc3c(-c3c(OP(N=O)N=O)ccc4ccccc34)c2OP(ON)ON)cc1.
What is the InChIKey of diamino [1-(2-dinitrosophosphanyloxynaphthalen-1-yl)-3-[(4-methylphenyl)methylcarbamoyl]naphthalen-2-yl] phosphite?
The InChIKey is YJGHQIQJTXHCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O7P2/c1-18-10-12-19(13-11-18)17-32-29(35)24-16-21-7-3-5-9-23(21)27(28(24)39-43(40-30)41-31)26-22-8-4-2-6-20(22)14-15-25(26)38-42(33-36)34-37/h2-16H,17,30-31H2,1H3,(H,32,35).
What are the key properties of diamino [1-(2-dinitrosophosphanyloxynaphthalen-1-yl)-3-[(4-methylphenyl)methylcarbamoyl]naphthalen-2-yl] phosphite?
diamino [1-(2-dinitrosophosphanyloxynaphthalen-1-yl)-3-[(4-methylphenyl)methylcarbamoyl]naphthalen-2-yl] phosphite has a molecular weight of 617.50 g/mol, XLogP of 7.42, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for diamino [1-(2-dinitrosophosphanyloxynaphthalen-1-yl)-3-[(4-methylphenyl)methylcarbamoyl]naphthalen-2-yl] phosphite is sourced from PubChem (CID 18720379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).