CID 174754317

C41H29Si — CID 174754317

IUPAC—
SMILESC1=C(c2c3ccccc3c(-c3ccc([Si](c4ccccc4)c4ccccc4)cc3)c3ccccc23)Cc2ccccc21
InChIInChI=1S/C41H29Si/c1-3-15-33(16-4-1)42(34-17-5-2-6-18-34)35-25-23-29(24-26-35)40-36-19-9-11-21-38(36)41(39-22-12-10-20-37(39)40)32-27-30-13-7-8-14-31(30)28-32/h1-27H,28H2
InChIKeyCTSNLYNSRVPGNJ-UHFFFAOYSA-N
MW549.77 g/mol
LogP8.27
Rot. Bonds5

About CID 174754317

CID 174754317 (PubChem CID 174754317) has the molecular formula C41H29Si and a molecular weight of 549.77 g/mol.

Molecular Properties

Compound NameCID 174754317
PubChem CID174754317
Molecular FormulaC41H29Si
Molecular Weight549.77 g/mol
Exact Mass549.20
IUPAC Name—
SMILESC1=C(c2c3ccccc3c(-c3ccc([Si](c4ccccc4)c4ccccc4)cc3)c3ccccc23)Cc2ccccc21
InChIInChI=1S/C41H29Si/c1-3-15-33(16-4-1)42(34-17-5-2-6-18-34)35-25-23-29(24-26-35)40-36-19-9-11-21-38(36)41(39-22-12-10-20-37(39)40)32-27-30-13-7-8-14-31(30)28-32/h1-27H,28H2
InChIKeyCTSNLYNSRVPGNJ-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.77
LogP ≤ 58.27
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': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze CID 174754317 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

2-(4-phenylphenyl)-1H-indene;zirconium
CID 174373323
2-[3-(1H-inden-2-yl)phenyl]-1H-indene
CID 159714267
9-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 123715814
1-ethyl-4-(1H-inden-2-yl)naphthalene
CID 22347915
2-[4-[10-(3,4-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 155106058
1-[[4-[4-(1H-inden-2-yl)phenyl]phenyl]-phenylmethyl]naphthalene
CID 58568788
9-[4-[6-(8,9-dihydro-7H-benzo[7]annulen-6-yl)naphthalen-2-yl]phenyl]-10-naphthalen-2-ylanthracene
CID 144809763
9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 59866453
2-[4-(trifluoromethyl)phenyl]-1H-indene;zirconium
CID 174374188
CID 22402180
CID 22402180
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
2-(1H-inden-2-yl)furan;zirconium
CID 174544021

Frequently Asked Questions

What is the IUPAC name of CID 174754317?
The IUPAC name of CID 174754317 (CID 174754317) is not available.
What is the SMILES notation for CID 174754317?
The canonical SMILES for CID 174754317 is C1=C(c2c3ccccc3c(-c3ccc([Si](c4ccccc4)c4ccccc4)cc3)c3ccccc23)Cc2ccccc21.
What is the InChIKey of CID 174754317?
The InChIKey is CTSNLYNSRVPGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29Si/c1-3-15-33(16-4-1)42(34-17-5-2-6-18-34)35-25-23-29(24-26-35)40-36-19-9-11-21-38(36)41(39-22-12-10-20-37(39)40)32-27-30-13-7-8-14-31(30)28-32/h1-27H,28H2.
What are the key properties of CID 174754317?
CID 174754317 has a molecular weight of 549.77 g/mol, XLogP of 8.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174754317 is sourced from PubChem (CID 174754317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).