1,1-dimethyl-2,5-dinaphthalen-2-yl-3,4-diphenylsilole

C38H30Si — CID 54302855

IUPAC1,1-dimethyl-2,5-dinaphthalen-2-yl-3,4-diphenylsilole
SMILESC[Si]1(C)C(c2ccc3ccccc3c2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc2ccccc2c1
InChIInChI=1S/C38H30Si/c1-39(2)37(33-23-21-27-13-9-11-19-31(27)25-33)35(29-15-5-3-6-16-29)36(30-17-7-4-8-18-30)38(39)34-24-22-28-14-10-12-20-32(28)26-34/h3-26H,1-2H3
InChIKeySFLKPKMXHDOPPH-UHFFFAOYSA-N
MW514.74 g/mol
LogP10.32
Rot. Bonds4

About 1,1-dimethyl-2,5-dinaphthalen-2-yl-3,4-diphenylsilole

1,1-dimethyl-2,5-dinaphthalen-2-yl-3,4-diphenylsilole (PubChem CID 54302855) has the molecular formula C38H30Si and a molecular weight of 514.74 g/mol. Its IUPAC name is 1,1-dimethyl-2,5-dinaphthalen-2-yl-3,4-diphenylsilole.

Molecular Properties

Compound Name1,1-dimethyl-2,5-dinaphthalen-2-yl-3,4-diphenylsilole
PubChem CID54302855
Molecular FormulaC38H30Si
Molecular Weight514.74 g/mol
Exact Mass514.21
IUPAC Name1,1-dimethyl-2,5-dinaphthalen-2-yl-3,4-diphenylsilole
SMILESC[Si]1(C)C(c2ccc3ccccc3c2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc2ccccc2c1
InChIInChI=1S/C38H30Si/c1-39(2)37(33-23-21-27-13-9-11-19-31(27)25-33)35(29-15-5-3-6-16-29)36(30-17-7-4-8-18-30)38(39)34-24-22-28-14-10-12-20-32(28)26-34/h3-26H,1-2H3
InChIKeySFLKPKMXHDOPPH-UHFFFAOYSA-N
XLogP10.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.74
LogP ≤ 510.32
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

5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene
CID 122365519
benzo[f]azulene
CID 13065869
2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene
CID 156673302
2-[4-[bis(4-phenylphenyl)methyl]phenyl]naphthalene
CID 155790042
2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629194
2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 143886275
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane
CID 165043566
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029
5-[5-(1-benzothiophen-5-yl)-1-methyl-1,3,4-triphenylsilol-2-yl]-1-benzothiophene
CID 122365518

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2,5-dinaphthalen-2-yl-3,4-diphenylsilole?
The IUPAC name of 1,1-dimethyl-2,5-dinaphthalen-2-yl-3,4-diphenylsilole (CID 54302855) is 1,1-dimethyl-2,5-dinaphthalen-2-yl-3,4-diphenylsilole.
What is the SMILES notation for 1,1-dimethyl-2,5-dinaphthalen-2-yl-3,4-diphenylsilole?
The canonical SMILES for 1,1-dimethyl-2,5-dinaphthalen-2-yl-3,4-diphenylsilole is C[Si]1(C)C(c2ccc3ccccc3c2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc2ccccc2c1.
What is the InChIKey of 1,1-dimethyl-2,5-dinaphthalen-2-yl-3,4-diphenylsilole?
The InChIKey is SFLKPKMXHDOPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30Si/c1-39(2)37(33-23-21-27-13-9-11-19-31(27)25-33)35(29-15-5-3-6-16-29)36(30-17-7-4-8-18-30)38(39)34-24-22-28-14-10-12-20-32(28)26-34/h3-26H,1-2H3.
What are the key properties of 1,1-dimethyl-2,5-dinaphthalen-2-yl-3,4-diphenylsilole?
1,1-dimethyl-2,5-dinaphthalen-2-yl-3,4-diphenylsilole has a molecular weight of 514.74 g/mol, XLogP of 10.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2,5-dinaphthalen-2-yl-3,4-diphenylsilole is sourced from PubChem (CID 54302855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).