N-[[4-[2-[4-bis[bis(prop-2-enyl)amino]phosphoryloxyphenyl]propan-2-yl]phenoxy]-[bis(prop-2-enyl)amino]phosphoryl]-N-prop-2-enylprop-2-en-1-amine

C39H54N4O4P2 — CID 102152569

IUPACN-[[4-[2-[4-bis[bis(prop-2-enyl)amino]phosphoryloxyphenyl]propan-2-yl]phenoxy]-[bis(prop-2-enyl)amino]phosphoryl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)P(=O)(Oc1ccc(C(C)(C)c2ccc(OP(=O)(N(CC=C)CC=C)N(CC=C)CC=C)cc2)cc1)N(CC=C)CC=C
InChIInChI=1S/C39H54N4O4P2/c1-11-27-40(28-12-2)48(44,41(29-13-3)30-14-4)46-37-23-19-35(20-24-37)39(9,10)36-21-25-38(26-22-36)47-49(45,42(31-15-5)32-16-6)43(33-17-7)34-18-8/h11-26H,1-8,27-34H2,9-10H3
InChIKeyKZJSUTZCFSKHLL-UHFFFAOYSA-N
MW704.83 g/mol
LogP9.68
Rot. Bonds26

About N-[[4-[2-[4-bis[bis(prop-2-enyl)amino]phosphoryloxyphenyl]propan-2-yl]phenoxy]-[bis(prop-2-enyl)amino]phosphoryl]-N-prop-2-enylprop-2-en-1-amine

N-[[4-[2-[4-bis[bis(prop-2-enyl)amino]phosphoryloxyphenyl]propan-2-yl]phenoxy]-[bis(prop-2-enyl)amino]phosphoryl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 102152569) has the molecular formula C39H54N4O4P2 and a molecular weight of 704.83 g/mol. Its IUPAC name is N-[[4-[2-[4-bis[bis(prop-2-enyl)amino]phosphoryloxyphenyl]propan-2-yl]phenoxy]-[bis(prop-2-enyl)amino]phosphoryl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[4-[2-[4-bis[bis(prop-2-enyl)amino]phosphoryloxyphenyl]propan-2-yl]phenoxy]-[bis(prop-2-enyl)amino]phosphoryl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID102152569
Molecular FormulaC39H54N4O4P2
Molecular Weight704.83 g/mol
Exact Mass704.36
IUPAC NameN-[[4-[2-[4-bis[bis(prop-2-enyl)amino]phosphoryloxyphenyl]propan-2-yl]phenoxy]-[bis(prop-2-enyl)amino]phosphoryl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)P(=O)(Oc1ccc(C(C)(C)c2ccc(OP(=O)(N(CC=C)CC=C)N(CC=C)CC=C)cc2)cc1)N(CC=C)CC=C
InChIInChI=1S/C39H54N4O4P2/c1-11-27-40(28-12-2)48(44,41(29-13-3)30-14-4)46-37-23-19-35(20-24-37)39(9,10)36-21-25-38(26-22-36)47-49(45,42(31-15-5)32-16-6)43(33-17-7)34-18-8/h11-26H,1-8,27-34H2,9-10H3
InChIKeyKZJSUTZCFSKHLL-UHFFFAOYSA-N
XLogP9.68
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.83
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-[2-[4-bis[bis(prop-2-enyl)amino]phosphoryloxyphenyl]propan-2-yl]phenoxy]-[bis(prop-2-enyl)amino]phosphoryl]-N-prop-2-enylprop-2-en-1-amine with MolForge

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Related Compounds

[4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate
CID 123731391
1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene
CID 59168492
1-[2-[4-[tert-butyl(methyl)phosphoryl]oxyphenyl]propan-2-yl]-4-[(2-methylpropan-2-yl)oxy]benzene
CID 69177598
tris[4-[2-[4-(prop-2-enoylamino)phenyl]propan-2-yl]phenyl] phosphate
CID 91029809
(3-hydroxy-2,2-dimethylpropyl) [4-[2-[4-[hydroxy-(3-hydroxy-2,2-dimethylpropoxy)phosphoryl]oxyphenyl]propan-2-yl]phenyl] hydrogen phosphate
CID 22278044
1-[2-(4-dimethylphosphoryloxyphenyl)propan-2-yl]-4-propan-2-yloxybenzene;ethane
CID 168985818
[4-[2-[4-[hydroxy-(4-methylphenoxy)phosphoryl]oxyphenyl]propan-2-yl]phenyl] (4-methylphenyl) hydrogen phosphate
CID 23106977
4-[bis(diethylamino)phosphoryloxy]benzaldehyde
CID 59365470
N-[[bis(prop-2-enyl)amino]-prop-2-enoxyphosphoryl]-N-prop-2-enylprop-2-en-1-amine
CID 88513081
(4-tert-butylphenoxy)-methylphosphinate
CID 2313159
1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene
CID 71670386
1-[butoxy(butyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene
CID 91744206

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[4-bis[bis(prop-2-enyl)amino]phosphoryloxyphenyl]propan-2-yl]phenoxy]-[bis(prop-2-enyl)amino]phosphoryl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[[4-[2-[4-bis[bis(prop-2-enyl)amino]phosphoryloxyphenyl]propan-2-yl]phenoxy]-[bis(prop-2-enyl)amino]phosphoryl]-N-prop-2-enylprop-2-en-1-amine (CID 102152569) is N-[[4-[2-[4-bis[bis(prop-2-enyl)amino]phosphoryloxyphenyl]propan-2-yl]phenoxy]-[bis(prop-2-enyl)amino]phosphoryl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[[4-[2-[4-bis[bis(prop-2-enyl)amino]phosphoryloxyphenyl]propan-2-yl]phenoxy]-[bis(prop-2-enyl)amino]phosphoryl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[[4-[2-[4-bis[bis(prop-2-enyl)amino]phosphoryloxyphenyl]propan-2-yl]phenoxy]-[bis(prop-2-enyl)amino]phosphoryl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)P(=O)(Oc1ccc(C(C)(C)c2ccc(OP(=O)(N(CC=C)CC=C)N(CC=C)CC=C)cc2)cc1)N(CC=C)CC=C.
What is the InChIKey of N-[[4-[2-[4-bis[bis(prop-2-enyl)amino]phosphoryloxyphenyl]propan-2-yl]phenoxy]-[bis(prop-2-enyl)amino]phosphoryl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is KZJSUTZCFSKHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H54N4O4P2/c1-11-27-40(28-12-2)48(44,41(29-13-3)30-14-4)46-37-23-19-35(20-24-37)39(9,10)36-21-25-38(26-22-36)47-49(45,42(31-15-5)32-16-6)43(33-17-7)34-18-8/h11-26H,1-8,27-34H2,9-10H3.
What are the key properties of N-[[4-[2-[4-bis[bis(prop-2-enyl)amino]phosphoryloxyphenyl]propan-2-yl]phenoxy]-[bis(prop-2-enyl)amino]phosphoryl]-N-prop-2-enylprop-2-en-1-amine?
N-[[4-[2-[4-bis[bis(prop-2-enyl)amino]phosphoryloxyphenyl]propan-2-yl]phenoxy]-[bis(prop-2-enyl)amino]phosphoryl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 704.83 g/mol, XLogP of 9.68, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[4-bis[bis(prop-2-enyl)amino]phosphoryloxyphenyl]propan-2-yl]phenoxy]-[bis(prop-2-enyl)amino]phosphoryl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 102152569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).