1,1-dimethyl-3,4-bis(3-methylphenyl)-2,5-dinaphthalen-1-ylsilole

C40H34Si — CID 54214405

IUPAC1,1-dimethyl-3,4-bis(3-methylphenyl)-2,5-dinaphthalen-1-ylsilole
SMILESCc1cccc(C2=C(c3cccc4ccccc34)[Si](C)(C)C(c3cccc4ccccc34)=C2c2cccc(C)c2)c1
InChIInChI=1S/C40H34Si/c1-27-13-9-19-31(25-27)37-38(32-20-10-14-28(2)26-32)40(36-24-12-18-30-16-6-8-22-34(30)36)41(3,4)39(37)35-23-11-17-29-15-5-7-21-33(29)35/h5-26H,1-4H3
InChIKeyPYDLTTOYEUSRFO-UHFFFAOYSA-N
MW542.80 g/mol
LogP10.93
Rot. Bonds4

About 1,1-dimethyl-3,4-bis(3-methylphenyl)-2,5-dinaphthalen-1-ylsilole

1,1-dimethyl-3,4-bis(3-methylphenyl)-2,5-dinaphthalen-1-ylsilole (PubChem CID 54214405) has the molecular formula C40H34Si and a molecular weight of 542.80 g/mol. Its IUPAC name is 1,1-dimethyl-3,4-bis(3-methylphenyl)-2,5-dinaphthalen-1-ylsilole.

Molecular Properties

Compound Name1,1-dimethyl-3,4-bis(3-methylphenyl)-2,5-dinaphthalen-1-ylsilole
PubChem CID54214405
Molecular FormulaC40H34Si
Molecular Weight542.80 g/mol
Exact Mass542.24
IUPAC Name1,1-dimethyl-3,4-bis(3-methylphenyl)-2,5-dinaphthalen-1-ylsilole
SMILESCc1cccc(C2=C(c3cccc4ccccc34)[Si](C)(C)C(c3cccc4ccccc34)=C2c2cccc(C)c2)c1
InChIInChI=1S/C40H34Si/c1-27-13-9-19-31(25-27)37-38(32-20-10-14-28(2)26-32)40(36-24-12-18-30-16-6-8-22-34(30)36)41(3,4)39(37)35-23-11-17-29-15-5-7-21-33(29)35/h5-26H,1-4H3
InChIKeyPYDLTTOYEUSRFO-UHFFFAOYSA-N
XLogP10.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.80
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 158274717
2-(3-methylphenyl)-5-naphthalen-1-ylthiophene
CID 59500404
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 159203920
9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837207
1-(3-bromo-5-methylphenyl)naphthalene
CID 155180457
2,8-dimethyl-6,12-bis(3-naphthalen-1-ylphenyl)chrysene
CID 59434520
8-(3-methylphenyl)naphtho[2,1-b][1]benzothiole
CID 166880433
3-(3-methylphenyl)fluoranthene
CID 123478210
2-(3-methylphenyl)naphthalene-1-carbonitrile
CID 71514383
1-(3-methylphenyl)naphthalen-2-amine
CID 141043466
ethane;7-(3-methylphenyl)-6-(4-naphthalen-1-ylphenyl)quinoline
CID 142621816

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3,4-bis(3-methylphenyl)-2,5-dinaphthalen-1-ylsilole?
The IUPAC name of 1,1-dimethyl-3,4-bis(3-methylphenyl)-2,5-dinaphthalen-1-ylsilole (CID 54214405) is 1,1-dimethyl-3,4-bis(3-methylphenyl)-2,5-dinaphthalen-1-ylsilole.
What is the SMILES notation for 1,1-dimethyl-3,4-bis(3-methylphenyl)-2,5-dinaphthalen-1-ylsilole?
The canonical SMILES for 1,1-dimethyl-3,4-bis(3-methylphenyl)-2,5-dinaphthalen-1-ylsilole is Cc1cccc(C2=C(c3cccc4ccccc34)[Si](C)(C)C(c3cccc4ccccc34)=C2c2cccc(C)c2)c1.
What is the InChIKey of 1,1-dimethyl-3,4-bis(3-methylphenyl)-2,5-dinaphthalen-1-ylsilole?
The InChIKey is PYDLTTOYEUSRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34Si/c1-27-13-9-19-31(25-27)37-38(32-20-10-14-28(2)26-32)40(36-24-12-18-30-16-6-8-22-34(30)36)41(3,4)39(37)35-23-11-17-29-15-5-7-21-33(29)35/h5-26H,1-4H3.
What are the key properties of 1,1-dimethyl-3,4-bis(3-methylphenyl)-2,5-dinaphthalen-1-ylsilole?
1,1-dimethyl-3,4-bis(3-methylphenyl)-2,5-dinaphthalen-1-ylsilole has a molecular weight of 542.80 g/mol, XLogP of 10.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3,4-bis(3-methylphenyl)-2,5-dinaphthalen-1-ylsilole is sourced from PubChem (CID 54214405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).