naphthalen-2-yl-(4-naphtho[1,2-h]quinolin-12-ylphenyl)-phenyl-selanylidene-λ5-phosphane

C39H26NPSe — CID 165025890

IUPACnaphthalen-2-yl-(4-naphtho[1,2-h]quinolin-12-ylphenyl)-phenyl-selanylidene-λ5-phosphane
SMILES[Se]=P(c1ccccc1)(c1ccc(-c2cc3c4ccccc4ccc3c3ncccc23)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C39H26NPSe/c42-41(31-12-2-1-3-13-31,33-22-16-27-9-4-5-11-30(27)25-33)32-20-17-29(18-21-32)37-26-38-34-14-7-6-10-28(34)19-23-36(38)39-35(37)15-8-24-40-39/h1-26H
InChIKeyPIACXUSSBKKZRK-UHFFFAOYSA-N
MW618.58 g/mol
LogP8.74
Rot. Bonds4

About naphthalen-2-yl-(4-naphtho[1,2-h]quinolin-12-ylphenyl)-phenyl-selanylidene-λ5-phosphane

naphthalen-2-yl-(4-naphtho[1,2-h]quinolin-12-ylphenyl)-phenyl-selanylidene-λ5-phosphane (PubChem CID 165025890) has the molecular formula C39H26NPSe and a molecular weight of 618.58 g/mol. Its IUPAC name is naphthalen-2-yl-(4-naphtho[1,2-h]quinolin-12-ylphenyl)-phenyl-selanylidene-λ5-phosphane.

Molecular Properties

Compound Namenaphthalen-2-yl-(4-naphtho[1,2-h]quinolin-12-ylphenyl)-phenyl-selanylidene-λ5-phosphane
PubChem CID165025890
Molecular FormulaC39H26NPSe
Molecular Weight618.58 g/mol
Exact Mass619.10
IUPAC Namenaphthalen-2-yl-(4-naphtho[1,2-h]quinolin-12-ylphenyl)-phenyl-selanylidene-λ5-phosphane
SMILES[Se]=P(c1ccccc1)(c1ccc(-c2cc3c4ccccc4ccc3c3ncccc23)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C39H26NPSe/c42-41(31-12-2-1-3-13-31,33-22-16-27-9-4-5-11-30(27)25-33)32-20-17-29(18-21-32)37-26-38-34-14-7-6-10-28(34)19-23-36(38)39-35(37)15-8-24-40-39/h1-26H
InChIKeyPIACXUSSBKKZRK-UHFFFAOYSA-N
XLogP8.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.58
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze naphthalen-2-yl-(4-naphtho[1,2-h]quinolin-12-ylphenyl)-phenyl-selanylidene-λ5-phosphane 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

6,12-dinaphthalen-2-ylnaphtho[1,2-h]quinoline
CID 151204837
(4-acridin-9-ylphenyl)-diphenyl-selanylidene-λ5-phosphane;(4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane;(4-benzo[h]quinolin-5-ylphenyl)-diphenyl-selanylidene-λ5-phosphane;(4-naphtho[2,1-g]quinolin-7-ylphenyl)-diphenyl-selanylidene-λ5-phosphane;(4-naphtho[1,2-h]quinolin-12-ylphenyl)-diphenyl-selanylidene-λ5-phosphane;(4-naphtho[2,1-h]quinolin-6-ylphenyl)-diphenyl-selanylidene-λ5-phosphane
CID 165070716
(4-benzo[h]quinolin-2-ylphenyl)-naphthalen-2-yl-phenyl-selanylidene-λ5-phosphane
CID 164986129
9-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]acridine;2-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]benzo[h]quinoline;5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]benzo[h]quinoline;7-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[2,1-g]quinoline;12-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[1,2-h]quinoline
CID 165092084
naphthalen-1-yl-phenyl-(4-quinolin-8-ylphenyl)-selanylidene-λ5-phosphane
CID 164959023
(4-acridin-9-ylphenyl)-naphthalen-2-yl-phenyl-selanylidene-λ5-phosphane;(4-benzo[h]quinolin-2-ylphenyl)-naphthalen-2-yl-phenyl-selanylidene-λ5-phosphane;(4-benzo[h]quinolin-5-ylphenyl)-naphthalen-2-yl-phenyl-selanylidene-λ5-phosphane;naphthalen-2-yl-(4-naphtho[2,1-g]quinolin-7-ylphenyl)-phenyl-selanylidene-λ5-phosphane;naphthalen-2-yl-(4-naphtho[1,2-h]quinolin-12-ylphenyl)-phenyl-selanylidene-λ5-phosphane;naphthalen-2-yl-(4-naphtho[2,1-h]quinolin-6-ylphenyl)-phenyl-selanylidene-λ5-phosphane;naphthalen-1-yl-phenyl-(4-pyridin-4-ylphenyl)-selanylidene-λ5-phosphane;naphthalen-1-yl-phenyl-(4-quinolin-3-ylphenyl)-selanylidene-λ5-phosphane;naphthalen-1-yl-phenyl-(4-quinolin-8-ylphenyl)-selanylidene-λ5-phosphane
CID 165025889
5-[4-(9,10-dinaphthalen-2-yl-7-phenylanthracen-2-yl)phenyl]benzo[h]quinoline
CID 58323929
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-f]quinoline
CID 174287405
(4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane
CID 165070719
7-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[2,1-g]quinoline;6-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[2,1-h]quinoline;12-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[1,2-h]quinoline;4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]pyridine;3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline
CID 165025099
diphenyl-(11-phenyl-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15(20),16,18-decaen-17-yl)-selanylidene-λ5-phosphane
CID 154586300
2-phenyl-4-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]-1,10-phenanthroline
CID 155006745

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-(4-naphtho[1,2-h]quinolin-12-ylphenyl)-phenyl-selanylidene-λ5-phosphane?
The IUPAC name of naphthalen-2-yl-(4-naphtho[1,2-h]quinolin-12-ylphenyl)-phenyl-selanylidene-λ5-phosphane (CID 165025890) is naphthalen-2-yl-(4-naphtho[1,2-h]quinolin-12-ylphenyl)-phenyl-selanylidene-λ5-phosphane.
What is the SMILES notation for naphthalen-2-yl-(4-naphtho[1,2-h]quinolin-12-ylphenyl)-phenyl-selanylidene-λ5-phosphane?
The canonical SMILES for naphthalen-2-yl-(4-naphtho[1,2-h]quinolin-12-ylphenyl)-phenyl-selanylidene-λ5-phosphane is [Se]=P(c1ccccc1)(c1ccc(-c2cc3c4ccccc4ccc3c3ncccc23)cc1)c1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl-(4-naphtho[1,2-h]quinolin-12-ylphenyl)-phenyl-selanylidene-λ5-phosphane?
The InChIKey is PIACXUSSBKKZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26NPSe/c42-41(31-12-2-1-3-13-31,33-22-16-27-9-4-5-11-30(27)25-33)32-20-17-29(18-21-32)37-26-38-34-14-7-6-10-28(34)19-23-36(38)39-35(37)15-8-24-40-39/h1-26H.
What are the key properties of naphthalen-2-yl-(4-naphtho[1,2-h]quinolin-12-ylphenyl)-phenyl-selanylidene-λ5-phosphane?
naphthalen-2-yl-(4-naphtho[1,2-h]quinolin-12-ylphenyl)-phenyl-selanylidene-λ5-phosphane has a molecular weight of 618.58 g/mol, XLogP of 8.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-(4-naphtho[1,2-h]quinolin-12-ylphenyl)-phenyl-selanylidene-λ5-phosphane is sourced from PubChem (CID 165025890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).