[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane

C58H38Si — CID 140868264

IUPAC[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C58H38Si/c1-3-18-46(19-4-1)59(47-20-5-2-6-21-47,54-37-33-43-28-27-40-16-13-17-41-32-36-53(54)58(43)55(40)41)48-34-30-42(31-35-48)56-49-22-9-11-24-51(49)57(52-25-12-10-23-50(52)56)45-29-26-39-14-7-8-15-44(39)38-45/h1-38H
InChIKeyGQHSGTIPGMPBIR-UHFFFAOYSA-N
MW763.03 g/mol
LogP12.76
Rot. Bonds6

About [4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane

[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane (PubChem CID 140868264) has the molecular formula C58H38Si and a molecular weight of 763.03 g/mol. Its IUPAC name is [4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane.

Molecular Properties

Compound Name[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane
PubChem CID140868264
Molecular FormulaC58H38Si
Molecular Weight763.03 g/mol
Exact Mass762.27
IUPAC Name[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C58H38Si/c1-3-18-46(19-4-1)59(47-20-5-2-6-21-47,54-37-33-43-28-27-40-16-13-17-41-32-36-53(54)58(43)55(40)41)48-34-30-42(31-35-48)56-49-22-9-11-24-51(49)57(52-25-12-10-23-50(52)56)45-29-26-39-14-7-8-15-44(39)38-45/h1-38H
InChIKeyGQHSGTIPGMPBIR-UHFFFAOYSA-N
XLogP12.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.03
LogP ≤ 512.76
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': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

dinaphthalen-2-yl-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-phenylsilane
CID 123493288
(9,10-dinaphthalen-2-ylanthracen-2-yl)-triphenylsilane
CID 59348733
dimethyl-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-pyren-1-ylsilane
CID 123743474
[9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)-6-triphenylsilylanthracen-2-yl]-triphenylsilane
CID 59348741
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene
CID 142727128
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
trimethyl-(10-naphthalen-2-yl-9-phenylanthracen-2-yl)silane
CID 123999197
anthracene;chrysene;9,10-diphenylanthracene;naphthalene;pyrene
CID 174820118
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267

Frequently Asked Questions

What is the IUPAC name of [4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane?
The IUPAC name of [4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane (CID 140868264) is [4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane.
What is the SMILES notation for [4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane?
The canonical SMILES for [4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane is c1ccc([Si](c2ccccc2)(c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1.
What is the InChIKey of [4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane?
The InChIKey is GQHSGTIPGMPBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38Si/c1-3-18-46(19-4-1)59(47-20-5-2-6-21-47,54-37-33-43-28-27-40-16-13-17-41-32-36-53(54)58(43)55(40)41)48-34-30-42(31-35-48)56-49-22-9-11-24-51(49)57(52-25-12-10-23-50(52)56)45-29-26-39-14-7-8-15-44(39)38-45/h1-38H.
What are the key properties of [4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane?
[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane has a molecular weight of 763.03 g/mol, XLogP of 12.76, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane is sourced from PubChem (CID 140868264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).