N-[[8-[bis(diethylamino)phosphanyl]naphthalen-1-yl]-(diethylamino)phosphanyl]-N-ethylethanamine

C26H46N4P2 — CID 15316748

IUPACN-[[8-[bis(diethylamino)phosphanyl]naphthalen-1-yl]-(diethylamino)phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(c1cccc2cccc(P(N(CC)CC)N(CC)CC)c12)N(CC)CC
InChIInChI=1S/C26H46N4P2/c1-9-27(10-2)31(28(11-3)12-4)24-21-17-19-23-20-18-22-25(26(23)24)32(29(13-5)14-6)30(15-7)16-8/h17-22H,9-16H2,1-8H3
InChIKeyXDHQNKZSESDUGT-UHFFFAOYSA-N
MW476.63 g/mol
LogP6.08
Rot. Bonds14

About N-[[8-[bis(diethylamino)phosphanyl]naphthalen-1-yl]-(diethylamino)phosphanyl]-N-ethylethanamine

N-[[8-[bis(diethylamino)phosphanyl]naphthalen-1-yl]-(diethylamino)phosphanyl]-N-ethylethanamine (PubChem CID 15316748) has the molecular formula C26H46N4P2 and a molecular weight of 476.63 g/mol. Its IUPAC name is N-[[8-[bis(diethylamino)phosphanyl]naphthalen-1-yl]-(diethylamino)phosphanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[8-[bis(diethylamino)phosphanyl]naphthalen-1-yl]-(diethylamino)phosphanyl]-N-ethylethanamine
PubChem CID15316748
Molecular FormulaC26H46N4P2
Molecular Weight476.63 g/mol
Exact Mass476.32
IUPAC NameN-[[8-[bis(diethylamino)phosphanyl]naphthalen-1-yl]-(diethylamino)phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(c1cccc2cccc(P(N(CC)CC)N(CC)CC)c12)N(CC)CC
InChIInChI=1S/C26H46N4P2/c1-9-27(10-2)31(28(11-3)12-4)24-21-17-19-23-20-18-22-25(26(23)24)32(29(13-5)14-6)30(15-7)16-8/h17-22H,9-16H2,1-8H3
InChIKeyXDHQNKZSESDUGT-UHFFFAOYSA-N
XLogP6.08
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.63
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[8-[bis(diethylamino)phosphanyl]naphthalen-1-yl]-(diethylamino)phosphanyl]-N-ethylethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[8-[bis(diethylamino)phosphanyl]naphthalen-1-yl]-(diethylamino)phosphanyl]-N-ethylethanamine?
The IUPAC name of N-[[8-[bis(diethylamino)phosphanyl]naphthalen-1-yl]-(diethylamino)phosphanyl]-N-ethylethanamine (CID 15316748) is N-[[8-[bis(diethylamino)phosphanyl]naphthalen-1-yl]-(diethylamino)phosphanyl]-N-ethylethanamine.
What is the SMILES notation for N-[[8-[bis(diethylamino)phosphanyl]naphthalen-1-yl]-(diethylamino)phosphanyl]-N-ethylethanamine?
The canonical SMILES for N-[[8-[bis(diethylamino)phosphanyl]naphthalen-1-yl]-(diethylamino)phosphanyl]-N-ethylethanamine is CCN(CC)P(c1cccc2cccc(P(N(CC)CC)N(CC)CC)c12)N(CC)CC.
What is the InChIKey of N-[[8-[bis(diethylamino)phosphanyl]naphthalen-1-yl]-(diethylamino)phosphanyl]-N-ethylethanamine?
The InChIKey is XDHQNKZSESDUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N4P2/c1-9-27(10-2)31(28(11-3)12-4)24-21-17-19-23-20-18-22-25(26(23)24)32(29(13-5)14-6)30(15-7)16-8/h17-22H,9-16H2,1-8H3.
What are the key properties of N-[[8-[bis(diethylamino)phosphanyl]naphthalen-1-yl]-(diethylamino)phosphanyl]-N-ethylethanamine?
N-[[8-[bis(diethylamino)phosphanyl]naphthalen-1-yl]-(diethylamino)phosphanyl]-N-ethylethanamine has a molecular weight of 476.63 g/mol, XLogP of 6.08, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[bis(diethylamino)phosphanyl]naphthalen-1-yl]-(diethylamino)phosphanyl]-N-ethylethanamine is sourced from PubChem (CID 15316748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).