dichloromethane;tetrakis(triphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane)

C133H102Cl2P4 — CID 139094416

IUPACdichloromethane;tetrakis(triphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane)
SMILESC1=C(c2ccccc2)c2ccccc2C1=P(c1ccccc1)(c1ccccc1)c1ccccc1.C1=C(c2ccccc2)c2ccccc2C1=P(c1ccccc1)(c1ccccc1)c1ccccc1.C1=C(c2ccccc2)c2ccccc2C1=P(c1ccccc1)(c1ccccc1)c1ccccc1.C1=C(c2ccccc2)c2ccccc2C1=P(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
InChIInChI=1S/4C33H25P.CH2Cl2/c4*1-5-15-26(16-6-1)32-25-33(31-24-14-13-23-30(31)32)34(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29;2-1-3/h4*1-25H;1H2
InChIKeyKQSVYASPYBMJOW-UHFFFAOYSA-N
MW1895.08 g/mol
LogP28.01
Rot. Bonds16

About dichloromethane;tetrakis(triphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane)

dichloromethane;tetrakis(triphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane) (PubChem CID 139094416) has the molecular formula C133H102Cl2P4 and a molecular weight of 1895.08 g/mol. Its IUPAC name is dichloromethane;tetrakis(triphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane).

Molecular Properties

Compound Namedichloromethane;tetrakis(triphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane)
PubChem CID139094416
Molecular FormulaC133H102Cl2P4
Molecular Weight1895.08 g/mol
Exact Mass1892.63
IUPAC Namedichloromethane;tetrakis(triphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane)
SMILESC1=C(c2ccccc2)c2ccccc2C1=P(c1ccccc1)(c1ccccc1)c1ccccc1.C1=C(c2ccccc2)c2ccccc2C1=P(c1ccccc1)(c1ccccc1)c1ccccc1.C1=C(c2ccccc2)c2ccccc2C1=P(c1ccccc1)(c1ccccc1)c1ccccc1.C1=C(c2ccccc2)c2ccccc2C1=P(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
InChIInChI=1S/4C33H25P.CH2Cl2/c4*1-5-15-26(16-6-1)32-25-33(31-24-14-13-23-30(31)32)34(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29;2-1-3/h4*1-25H;1H2
InChIKeyKQSVYASPYBMJOW-UHFFFAOYSA-N
XLogP28.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001895.08
LogP ≤ 528.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dichloromethane;tetrakis(triphenyl-(3-phenylinden-1-ylidene)-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

phenoxy-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane
CID 171483675
(3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene
CID 11315014
[4-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-2,3-dichlorocyclohexa-1,5-dien-1-yl]-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane;ruthenium(2+)
CID 175897774
dichloromethane;1-fluoro-2-phenylbenzene
CID 174471910
2-(4-oxo-2,5-diphenylcyclohexa-2,5-dien-1-ylidene)-4-(triphenyl-lambda5-phosphanylidene)cyclobutane-1,3-dione
CID 15253825
(1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene
CID 138968051
2-(3-phenylinden-1-ylidene)propanedinitrile
CID 102364192
[6-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]cyclohexa-2,4-dien-1-yl]-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane
CID 175419441
1,2-dichloroethane;1,4-diphenylbenzene
CID 174576673
1-phenylacenaphthylene
CID 13119282
bis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane
CID 23415957
chloromethyl-diphenyl-sulfanylidene-λ5-phosphane
CID 161049975

Frequently Asked Questions

What is the IUPAC name of dichloromethane;tetrakis(triphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane)?
The IUPAC name of dichloromethane;tetrakis(triphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane) (CID 139094416) is dichloromethane;tetrakis(triphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane).
What is the SMILES notation for dichloromethane;tetrakis(triphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane)?
The canonical SMILES for dichloromethane;tetrakis(triphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane) is C1=C(c2ccccc2)c2ccccc2C1=P(c1ccccc1)(c1ccccc1)c1ccccc1.C1=C(c2ccccc2)c2ccccc2C1=P(c1ccccc1)(c1ccccc1)c1ccccc1.C1=C(c2ccccc2)c2ccccc2C1=P(c1ccccc1)(c1ccccc1)c1ccccc1.C1=C(c2ccccc2)c2ccccc2C1=P(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.
What is the InChIKey of dichloromethane;tetrakis(triphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane)?
The InChIKey is KQSVYASPYBMJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C33H25P.CH2Cl2/c4*1-5-15-26(16-6-1)32-25-33(31-24-14-13-23-30(31)32)34(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29;2-1-3/h4*1-25H;1H2.
What are the key properties of dichloromethane;tetrakis(triphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane)?
dichloromethane;tetrakis(triphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane) has a molecular weight of 1895.08 g/mol, XLogP of 28.01, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;tetrakis(triphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane) is sourced from PubChem (CID 139094416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).