dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane

C38H30Si — CID 123472520

IUPACdimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane
SMILESC[Si](C)(c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C38H30Si/c1-39(2,32-25-20-27-12-6-7-15-30(27)26-32)31-23-21-29(22-24-31)38-35-18-10-8-16-33(35)37(28-13-4-3-5-14-28)34-17-9-11-19-36(34)38/h3-26H,1-2H3
InChIKeyZJUOBCQHSBSFFZ-UHFFFAOYSA-N
MW514.74 g/mol
LogP9.30
Rot. Bonds4

About dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane

dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane (PubChem CID 123472520) has the molecular formula C38H30Si and a molecular weight of 514.74 g/mol. Its IUPAC name is dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane.

Molecular Properties

Compound Namedimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane
PubChem CID123472520
Molecular FormulaC38H30Si
Molecular Weight514.74 g/mol
Exact Mass514.21
IUPAC Namedimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane
SMILESC[Si](C)(c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C38H30Si/c1-39(2,32-25-20-27-12-6-7-15-30(27)26-32)31-23-21-29(22-24-31)38-35-18-10-8-16-33(35)37(28-13-4-3-5-14-28)34-17-9-11-19-36(34)38/h3-26H,1-2H3
InChIKeyZJUOBCQHSBSFFZ-UHFFFAOYSA-N
XLogP9.30
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 ≤ 59.30
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'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane?
The IUPAC name of dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane (CID 123472520) is dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane.
What is the SMILES notation for dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane?
The canonical SMILES for dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane is C[Si](C)(c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1)c1ccc2ccccc2c1.
What is the InChIKey of dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane?
The InChIKey is ZJUOBCQHSBSFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30Si/c1-39(2,32-25-20-27-12-6-7-15-30(27)26-32)31-23-21-29(22-24-31)38-35-18-10-8-16-33(35)37(28-13-4-3-5-14-28)34-17-9-11-19-36(34)38/h3-26H,1-2H3.
What are the key properties of dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane?
dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane has a molecular weight of 514.74 g/mol, XLogP of 9.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane is sourced from PubChem (CID 123472520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).