1,4-bis(ethynyl)benzene;bis(1-ethynyl-4-ethynylbenzene);bis(platinum(2+))

C30H14Pt2 — CID 177477100

IUPAC1,4-bis(ethynyl)benzene;bis(1-ethynyl-4-ethynylbenzene);bis(platinum(2+))
SMILES[C-]#Cc1ccc(C#C)cc1.[C-]#Cc1ccc(C#C)cc1.[C-]#Cc1ccc(C#[C-])cc1.[Pt+2].[Pt+2]
InChIInChI=1S/2C10H5.C10H4.2Pt/c3*1-3-9-5-7-10(4-2)8-6-9;;/h2*1,5-8H;5-8H;;/q2*-1;-2;2*+2
InChIKeyFNEHHVVPFHZGPI-UHFFFAOYSA-N
MW764.60 g/mol
LogP4.77
Rot. Bonds

About 1,4-bis(ethynyl)benzene;bis(1-ethynyl-4-ethynylbenzene);bis(platinum(2+))

1,4-bis(ethynyl)benzene;bis(1-ethynyl-4-ethynylbenzene);bis(platinum(2+)) (PubChem CID 177477100) has the molecular formula C30H14Pt2 and a molecular weight of 764.60 g/mol. Its IUPAC name is 1,4-bis(ethynyl)benzene;bis(1-ethynyl-4-ethynylbenzene);bis(platinum(2+)).

Molecular Properties

Compound Name1,4-bis(ethynyl)benzene;bis(1-ethynyl-4-ethynylbenzene);bis(platinum(2+))
PubChem CID177477100
Molecular FormulaC30H14Pt2
Molecular Weight764.60 g/mol
Exact Mass764.04
IUPAC Name1,4-bis(ethynyl)benzene;bis(1-ethynyl-4-ethynylbenzene);bis(platinum(2+))
SMILES[C-]#Cc1ccc(C#C)cc1.[C-]#Cc1ccc(C#C)cc1.[C-]#Cc1ccc(C#[C-])cc1.[Pt+2].[Pt+2]
InChIInChI=1S/2C10H5.C10H4.2Pt/c3*1-3-9-5-7-10(4-2)8-6-9;;/h2*1,5-8H;5-8H;;/q2*-1;-2;2*+2
InChIKeyFNEHHVVPFHZGPI-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500764.60
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1,4-bis(ethynyl)benzene;bis(1-ethynyl-4-ethynylbenzene);bis(platinum(2+)) 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

1,4-bis(ethynyl)benzene;iron
CID 177388924
1-ethynyl-4-(4-ethynylphenyl)benzene
CID 139087486
bis(1-ethynyl-4-methylbenzene);platinum(2+)
CID 13126549
CID 134888704
CID 134888704
(1,2-13C2)ethynylbenzene
CID 71309164
sodium 4-ethynylaniline
CID 11400815
ethynylbenzene fluoride
CID 139243604
cobalt;ethynylbenzene
CID 174831642
ethynylbenzene;stibane
CID 175292724
ethane;(4-ethynylphenyl)-dimethylsilane
CID 123754833
1-ethynyl-4-(4-ethynylphenyl)benzene
CID 101491544
1-tert-butyl-4-ethynylbenzene;ethane
CID 143373231

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethynyl)benzene;bis(1-ethynyl-4-ethynylbenzene);bis(platinum(2+))?
The IUPAC name of 1,4-bis(ethynyl)benzene;bis(1-ethynyl-4-ethynylbenzene);bis(platinum(2+)) (CID 177477100) is 1,4-bis(ethynyl)benzene;bis(1-ethynyl-4-ethynylbenzene);bis(platinum(2+)).
What is the SMILES notation for 1,4-bis(ethynyl)benzene;bis(1-ethynyl-4-ethynylbenzene);bis(platinum(2+))?
The canonical SMILES for 1,4-bis(ethynyl)benzene;bis(1-ethynyl-4-ethynylbenzene);bis(platinum(2+)) is [C-]#Cc1ccc(C#C)cc1.[C-]#Cc1ccc(C#C)cc1.[C-]#Cc1ccc(C#[C-])cc1.[Pt+2].[Pt+2].
What is the InChIKey of 1,4-bis(ethynyl)benzene;bis(1-ethynyl-4-ethynylbenzene);bis(platinum(2+))?
The InChIKey is FNEHHVVPFHZGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H5.C10H4.2Pt/c3*1-3-9-5-7-10(4-2)8-6-9;;/h2*1,5-8H;5-8H;;/q2*-1;-2;2*+2.
What are the key properties of 1,4-bis(ethynyl)benzene;bis(1-ethynyl-4-ethynylbenzene);bis(platinum(2+))?
1,4-bis(ethynyl)benzene;bis(1-ethynyl-4-ethynylbenzene);bis(platinum(2+)) has a molecular weight of 764.60 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethynyl)benzene;bis(1-ethynyl-4-ethynylbenzene);bis(platinum(2+)) is sourced from PubChem (CID 177477100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).