3-(4-chlorophenyl)-5,5-dinaphthalen-1-ylbenzo[b][1]benzosilole

C38H25ClSi — CID 155787174

IUPAC3-(4-chlorophenyl)-5,5-dinaphthalen-1-ylbenzo[b][1]benzosilole
SMILESClc1ccc(-c2ccc3c(c2)[Si](c2cccc4ccccc24)(c2cccc4ccccc24)c2ccccc2-3)cc1
InChIInChI=1S/C38H25ClSi/c39-30-22-19-26(20-23-30)29-21-24-34-33-15-5-6-16-37(33)40(38(34)25-29,35-17-7-11-27-9-1-3-13-31(27)35)36-18-8-12-28-10-2-4-14-32(28)36/h1-25H
InChIKeyZIFJIXCALZHXLH-UHFFFAOYSA-N
MW545.16 g/mol
LogP7.67
Rot. Bonds3

About 3-(4-chlorophenyl)-5,5-dinaphthalen-1-ylbenzo[b][1]benzosilole

3-(4-chlorophenyl)-5,5-dinaphthalen-1-ylbenzo[b][1]benzosilole (PubChem CID 155787174) has the molecular formula C38H25ClSi and a molecular weight of 545.16 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5,5-dinaphthalen-1-ylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5,5-dinaphthalen-1-ylbenzo[b][1]benzosilole
PubChem CID155787174
Molecular FormulaC38H25ClSi
Molecular Weight545.16 g/mol
Exact Mass544.14
IUPAC Name3-(4-chlorophenyl)-5,5-dinaphthalen-1-ylbenzo[b][1]benzosilole
SMILESClc1ccc(-c2ccc3c(c2)[Si](c2cccc4ccccc24)(c2cccc4ccccc24)c2ccccc2-3)cc1
InChIInChI=1S/C38H25ClSi/c39-30-22-19-26(20-23-30)29-21-24-34-33-15-5-6-16-37(33)40(38(34)25-29,35-17-7-11-27-9-1-3-13-31(27)35)36-18-8-12-28-10-2-4-14-32(28)36/h1-25H
InChIKeyZIFJIXCALZHXLH-UHFFFAOYSA-N
XLogP7.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.16
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole]
CID 132533616
2-(5-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 155787286
3-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]
CID 176862836
3-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole
CID 155787081
3,3',7,7'-tetrakis(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]
CID 20710018
9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene
CID 145157949
5-(4-chlorophenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 177100588
2-[4-(5,5-dinaphthalen-2-ylbenzo[b][1]benzosilol-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787337
7-phenylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole]
CID 59661586
3-(3-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole
CID 174329879
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
10-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-methylbenzo[c]carbazole
CID 140775284

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5,5-dinaphthalen-1-ylbenzo[b][1]benzosilole?
The IUPAC name of 3-(4-chlorophenyl)-5,5-dinaphthalen-1-ylbenzo[b][1]benzosilole (CID 155787174) is 3-(4-chlorophenyl)-5,5-dinaphthalen-1-ylbenzo[b][1]benzosilole.
What is the SMILES notation for 3-(4-chlorophenyl)-5,5-dinaphthalen-1-ylbenzo[b][1]benzosilole?
The canonical SMILES for 3-(4-chlorophenyl)-5,5-dinaphthalen-1-ylbenzo[b][1]benzosilole is Clc1ccc(-c2ccc3c(c2)[Si](c2cccc4ccccc24)(c2cccc4ccccc24)c2ccccc2-3)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5,5-dinaphthalen-1-ylbenzo[b][1]benzosilole?
The InChIKey is ZIFJIXCALZHXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25ClSi/c39-30-22-19-26(20-23-30)29-21-24-34-33-15-5-6-16-37(33)40(38(34)25-29,35-17-7-11-27-9-1-3-13-31(27)35)36-18-8-12-28-10-2-4-14-32(28)36/h1-25H.
What are the key properties of 3-(4-chlorophenyl)-5,5-dinaphthalen-1-ylbenzo[b][1]benzosilole?
3-(4-chlorophenyl)-5,5-dinaphthalen-1-ylbenzo[b][1]benzosilole has a molecular weight of 545.16 g/mol, XLogP of 7.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5,5-dinaphthalen-1-ylbenzo[b][1]benzosilole is sourced from PubChem (CID 155787174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).