benzyl-di(cyclohexa-1,3-dien-1-yl)-sulfanylidene-λ5-phosphane

C19H21PS — CID 143068600

IUPACbenzyl-di(cyclohexa-1,3-dien-1-yl)-sulfanylidene-λ5-phosphane
SMILESS=P(Cc1ccccc1)(C1=CC=CCC1)C1=CC=CCC1
InChIInChI=1S/C19H21PS/c21-20(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h1-6,8,10-12,14H,7,9,13,15-16H2
InChIKeyIJNPBLRQCJCJDS-UHFFFAOYSA-N
MW312.42 g/mol
LogP6.13
Rot. Bonds4

About benzyl-di(cyclohexa-1,3-dien-1-yl)-sulfanylidene-λ5-phosphane

benzyl-di(cyclohexa-1,3-dien-1-yl)-sulfanylidene-λ5-phosphane (PubChem CID 143068600) has the molecular formula C19H21PS and a molecular weight of 312.42 g/mol. Its IUPAC name is benzyl-di(cyclohexa-1,3-dien-1-yl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebenzyl-di(cyclohexa-1,3-dien-1-yl)-sulfanylidene-λ5-phosphane
PubChem CID143068600
Molecular FormulaC19H21PS
Molecular Weight312.42 g/mol
Exact Mass312.11
IUPAC Namebenzyl-di(cyclohexa-1,3-dien-1-yl)-sulfanylidene-λ5-phosphane
SMILESS=P(Cc1ccccc1)(C1=CC=CCC1)C1=CC=CCC1
InChIInChI=1S/C19H21PS/c21-20(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h1-6,8,10-12,14H,7,9,13,15-16H2
InChIKeyIJNPBLRQCJCJDS-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze benzyl-di(cyclohexa-1,3-dien-1-yl)-sulfanylidene-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

carbon monoxide;cyclohexa-1,3-dien-1-ylmethylbenzene;iron
CID 134899552
2-cyclohexa-1,3-dien-1-ylethylbenzene;ethane;hydroiodide
CID 142152565
benzyl cyclohexa-1,3-diene-1-carboxylate
CID 53440373
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
cyclohexa-1,3-dien-1-yloxybenzene
CID 19734973
2-[cyclohexa-1,3-dien-1-yl(phenyl)phosphoryl]-8-diphenylphosphoryldibenzothiophene
CID 142301618
cyclohexa-1,3-dien-1-yl(phenyl)silane
CID 154538324
benzyl-ditert-butyl-sulfanylidene-λ5-phosphane
CID 175377424
cyclohexa-1,3-dien-1-yl-(iodomethyl)-phenylsulfanium
CID 143626804
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
1-benzyl-4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-3,6-dihydro-2H-pyridine
CID 67619438
N-cyclohexa-1,3-dien-1-yl-N-methylaniline
CID 90128279

Frequently Asked Questions

What is the IUPAC name of benzyl-di(cyclohexa-1,3-dien-1-yl)-sulfanylidene-λ5-phosphane?
The IUPAC name of benzyl-di(cyclohexa-1,3-dien-1-yl)-sulfanylidene-λ5-phosphane (CID 143068600) is benzyl-di(cyclohexa-1,3-dien-1-yl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for benzyl-di(cyclohexa-1,3-dien-1-yl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for benzyl-di(cyclohexa-1,3-dien-1-yl)-sulfanylidene-λ5-phosphane is S=P(Cc1ccccc1)(C1=CC=CCC1)C1=CC=CCC1.
What is the InChIKey of benzyl-di(cyclohexa-1,3-dien-1-yl)-sulfanylidene-λ5-phosphane?
The InChIKey is IJNPBLRQCJCJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21PS/c21-20(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h1-6,8,10-12,14H,7,9,13,15-16H2.
What are the key properties of benzyl-di(cyclohexa-1,3-dien-1-yl)-sulfanylidene-λ5-phosphane?
benzyl-di(cyclohexa-1,3-dien-1-yl)-sulfanylidene-λ5-phosphane has a molecular weight of 312.42 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-di(cyclohexa-1,3-dien-1-yl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 143068600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).