CID 174880137

C25H17Si — CID 174880137

IUPAC—
SMILESC#Cc1cccc2cc3cc4cc5ccccc5cc4cc3cc12.C[Si]
InChIInChI=1S/C24H14.CH3Si/c1-2-16-8-5-9-19-12-22-13-20-10-17-6-3-4-7-18(17)11-21(20)14-23(22)15-24(16)19;1-2/h1,3-15H;1H3
InChIKeySRWADSHLSXEGNI-UHFFFAOYSA-N
MW345.50 g/mol
LogP6.48
Rot. Bonds

About CID 174880137

CID 174880137 (PubChem CID 174880137) has the molecular formula C25H17Si and a molecular weight of 345.50 g/mol.

Molecular Properties

Compound NameCID 174880137
PubChem CID174880137
Molecular FormulaC25H17Si
Molecular Weight345.50 g/mol
Exact Mass345.11
IUPAC Name—
SMILESC#Cc1cccc2cc3cc4cc5ccccc5cc4cc3cc12.C[Si]
InChIInChI=1S/C24H14.CH3Si/c1-2-16-8-5-9-19-12-22-13-20-10-17-6-3-4-7-18(17)11-21(20)14-23(22)15-24(16)19;1-2/h1,3-15H;1H3
InChIKeySRWADSHLSXEGNI-UHFFFAOYSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.50
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethynylpentacene;2-pentacen-1-ylethynyl-tri(propan-2-yl)silane
CID 162196732
anthracene-1-carbonitrile
CID 3036603
trimethyl(2-pentacen-1-ylethynyl)silane
CID 141150264
1-ethynyl-6,13-bis(4-pentylphenyl)pentacene
CID 140513754
1-chlorohexacene
CID 87838951
1-[2-(4-methoxyphenyl)ethynyl]anthracene
CID 12635754
anthracen-1-ylsulfanium
CID 23128637
heptacen-1-ol
CID 150633624
1,8-bis(prop-1-ynyl)anthracene
CID 122211067
ethane;pentacene
CID 91470616
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
octacyclo[16.16.0.02,15.04,13.06,11.019,32.021,30.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
CID 12657600

Frequently Asked Questions

What is the IUPAC name of CID 174880137?
The IUPAC name of CID 174880137 (CID 174880137) is not available.
What is the SMILES notation for CID 174880137?
The canonical SMILES for CID 174880137 is C#Cc1cccc2cc3cc4cc5ccccc5cc4cc3cc12.C[Si].
What is the InChIKey of CID 174880137?
The InChIKey is SRWADSHLSXEGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14.CH3Si/c1-2-16-8-5-9-19-12-22-13-20-10-17-6-3-4-7-18(17)11-21(20)14-23(22)15-24(16)19;1-2/h1,3-15H;1H3.
What are the key properties of CID 174880137?
CID 174880137 has a molecular weight of 345.50 g/mol, XLogP of 6.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174880137 is sourced from PubChem (CID 174880137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).