[9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-phenylsilane

C46H32Si — CID 137329563

IUPAC[9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-phenylsilane
SMILESc1ccc([SiH2]c2ccc3c(-c4cccc(-c5cccc6ccccc56)c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C46H32Si/c1-2-18-37(19-3-1)47-38-26-27-43-44(30-38)46(36-25-24-31-12-4-5-14-33(31)28-36)42-22-9-8-21-41(42)45(43)35-17-10-16-34(29-35)40-23-11-15-32-13-6-7-20-39(32)40/h1-30H,47H2
InChIKeyGZGRHAYATTVIEY-UHFFFAOYSA-N
MW612.85 g/mol
LogP10.42
Rot. Bonds5

About [9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-phenylsilane

[9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-phenylsilane (PubChem CID 137329563) has the molecular formula C46H32Si and a molecular weight of 612.85 g/mol. Its IUPAC name is [9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-phenylsilane.

Molecular Properties

Compound Name[9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-phenylsilane
PubChem CID137329563
Molecular FormulaC46H32Si
Molecular Weight612.85 g/mol
Exact Mass612.23
IUPAC Name[9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-phenylsilane
SMILESc1ccc([SiH2]c2ccc3c(-c4cccc(-c5cccc6ccccc56)c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C46H32Si/c1-2-18-37(19-3-1)47-38-26-27-43-44(30-38)46(36-25-24-31-12-4-5-14-33(31)28-36)42-22-9-8-21-41(42)45(43)35-17-10-16-34(29-35)40-23-11-15-32-13-6-7-20-39(32)40/h1-30H,47H2
InChIKeyGZGRHAYATTVIEY-UHFFFAOYSA-N
XLogP10.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.85
LogP ≤ 510.42
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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Related Compounds

[9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-phenanthren-9-ylanthracen-2-yl]-phenylsilane
CID 160860441
[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-phenanthren-9-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane
CID 160890535
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682
2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 58322960
2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58323030
2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58322767
[10-naphthalen-2-yl-9-(4-phenanthren-9-ylphenyl)anthracen-2-yl]-phenylsilane
CID 137329023
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 159387221
9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene
CID 58194379
10-(3-naphthalen-2-ylphenyl)-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene
CID 58323266
2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322677

Frequently Asked Questions

What is the IUPAC name of [9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-phenylsilane?
The IUPAC name of [9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-phenylsilane (CID 137329563) is [9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-phenylsilane.
What is the SMILES notation for [9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-phenylsilane?
The canonical SMILES for [9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-phenylsilane is c1ccc([SiH2]c2ccc3c(-c4cccc(-c5cccc6ccccc56)c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1.
What is the InChIKey of [9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-phenylsilane?
The InChIKey is GZGRHAYATTVIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32Si/c1-2-18-37(19-3-1)47-38-26-27-43-44(30-38)46(36-25-24-31-12-4-5-14-33(31)28-36)42-22-9-8-21-41(42)45(43)35-17-10-16-34(29-35)40-23-11-15-32-13-6-7-20-39(32)40/h1-30H,47H2.
What are the key properties of [9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-phenylsilane?
[9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-phenylsilane has a molecular weight of 612.85 g/mol, XLogP of 10.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-phenylsilane is sourced from PubChem (CID 137329563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).