CID 174694090

C25H19Si — CID 174694090

IUPAC—
SMILESC[Si](C#Cc1cccc2cc3ccccc3cc12)C=Cc1ccccc1
InChIInChI=1S/C25H19Si/c1-26(16-14-20-8-3-2-4-9-20)17-15-21-12-7-13-24-18-22-10-5-6-11-23(22)19-25(21)24/h2-14,16,18-19H,1H3
InChIKeyQHKGUMFAKCKRAD-UHFFFAOYSA-N
MW347.51 g/mol
LogP6.26
Rot. Bonds2

About CID 174694090

CID 174694090 (PubChem CID 174694090) has the molecular formula C25H19Si and a molecular weight of 347.51 g/mol.

Molecular Properties

Compound NameCID 174694090
PubChem CID174694090
Molecular FormulaC25H19Si
Molecular Weight347.51 g/mol
Exact Mass347.13
IUPAC Name—
SMILESC[Si](C#Cc1cccc2cc3ccccc3cc12)C=Cc1ccccc1
InChIInChI=1S/C25H19Si/c1-26(16-14-20-8-3-2-4-9-20)17-15-21-12-7-13-24-18-22-10-5-6-11-23(22)19-25(21)24/h2-14,16,18-19H,1H3
InChIKeyQHKGUMFAKCKRAD-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.51
LogP ≤ 56.26
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

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CID 174880137
1-[2-[(E)-2-phenylethenyl]phenyl]anthracene
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1,8-bis(2-bromoethynyl)anthracene
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4-(2-anthracen-1-ylethynyl)-3-[2-(2-anthracen-1-ylethynyl)-5-carboxyphenyl]benzoic acid
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9,10-bis[2-(6-methoxynaphthalen-1-yl)ethynyl]anthracene
CID 131997735
1-ethynylpentacene;2-pentacen-1-ylethynyl-tri(propan-2-yl)silane
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3-naphthalen-1-ylprop-2-ynyl(3-phenylprop-2-enyl)azanium bromide
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2,3,6,7-tetrakis(2-naphthalen-1-ylethynyl)naphthalene
CID 177465758

Frequently Asked Questions

What is the IUPAC name of CID 174694090?
The IUPAC name of CID 174694090 (CID 174694090) is not available.
What is the SMILES notation for CID 174694090?
The canonical SMILES for CID 174694090 is C[Si](C#Cc1cccc2cc3ccccc3cc12)C=Cc1ccccc1.
What is the InChIKey of CID 174694090?
The InChIKey is QHKGUMFAKCKRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Si/c1-26(16-14-20-8-3-2-4-9-20)17-15-21-12-7-13-24-18-22-10-5-6-11-23(22)19-25(21)24/h2-14,16,18-19H,1H3.
What are the key properties of CID 174694090?
CID 174694090 has a molecular weight of 347.51 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174694090 is sourced from PubChem (CID 174694090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).