(9,10-dinaphthalen-2-ylanthracen-2-yl)-triphenylsilane

C52H36Si — CID 59348733

IUPAC(9,10-dinaphthalen-2-ylanthracen-2-yl)-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C52H36Si/c1-4-20-43(21-5-1)53(44-22-6-2-7-23-44,45-24-8-3-9-25-45)46-32-33-49-50(36-46)52(42-31-29-38-17-11-13-19-40(38)35-42)48-27-15-14-26-47(48)51(49)41-30-28-37-16-10-12-18-39(37)34-41/h1-36H
InChIKeyQHTXSZHKWOAKFH-UHFFFAOYSA-N
MW688.95 g/mol
LogP11.01
Rot. Bonds6

About (9,10-dinaphthalen-2-ylanthracen-2-yl)-triphenylsilane

(9,10-dinaphthalen-2-ylanthracen-2-yl)-triphenylsilane (PubChem CID 59348733) has the molecular formula C52H36Si and a molecular weight of 688.95 g/mol. Its IUPAC name is (9,10-dinaphthalen-2-ylanthracen-2-yl)-triphenylsilane.

Molecular Properties

Compound Name(9,10-dinaphthalen-2-ylanthracen-2-yl)-triphenylsilane
PubChem CID59348733
Molecular FormulaC52H36Si
Molecular Weight688.95 g/mol
Exact Mass688.26
IUPAC Name(9,10-dinaphthalen-2-ylanthracen-2-yl)-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C52H36Si/c1-4-20-43(21-5-1)53(44-22-6-2-7-23-44,45-24-8-3-9-25-45)46-32-33-49-50(36-46)52(42-31-29-38-17-11-13-19-40(38)35-42)48-27-15-14-26-47(48)51(49)41-30-28-37-16-10-12-18-39(37)34-41/h1-36H
InChIKeyQHTXSZHKWOAKFH-UHFFFAOYSA-N
XLogP11.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.95
LogP ≤ 511.01
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)-6-triphenylsilylanthracen-2-yl]-triphenylsilane
CID 59348741
dinaphthalen-2-yl-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-phenylsilane
CID 123493288
bis(9,10-diphenylanthracen-2-yl)-diphenylsilane
CID 156630661
[7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran-2-yl]-triphenylsilane
CID 156626209
trimethyl-(10-naphthalen-2-yl-9-phenylanthracen-2-yl)silane
CID 123999197
[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane
CID 140868264
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673

Frequently Asked Questions

What is the IUPAC name of (9,10-dinaphthalen-2-ylanthracen-2-yl)-triphenylsilane?
The IUPAC name of (9,10-dinaphthalen-2-ylanthracen-2-yl)-triphenylsilane (CID 59348733) is (9,10-dinaphthalen-2-ylanthracen-2-yl)-triphenylsilane.
What is the SMILES notation for (9,10-dinaphthalen-2-ylanthracen-2-yl)-triphenylsilane?
The canonical SMILES for (9,10-dinaphthalen-2-ylanthracen-2-yl)-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1.
What is the InChIKey of (9,10-dinaphthalen-2-ylanthracen-2-yl)-triphenylsilane?
The InChIKey is QHTXSZHKWOAKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36Si/c1-4-20-43(21-5-1)53(44-22-6-2-7-23-44,45-24-8-3-9-25-45)46-32-33-49-50(36-46)52(42-31-29-38-17-11-13-19-40(38)35-42)48-27-15-14-26-47(48)51(49)41-30-28-37-16-10-12-18-39(37)34-41/h1-36H.
What are the key properties of (9,10-dinaphthalen-2-ylanthracen-2-yl)-triphenylsilane?
(9,10-dinaphthalen-2-ylanthracen-2-yl)-triphenylsilane has a molecular weight of 688.95 g/mol, XLogP of 11.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9,10-dinaphthalen-2-ylanthracen-2-yl)-triphenylsilane is sourced from PubChem (CID 59348733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).