[2,5-dimethyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diethyl-pyren-1-ylsilane

C52H42Si — CID 140868263

IUPAC[2,5-dimethyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diethyl-pyren-1-ylsilane
SMILESCC[Si](CC)(c1cc(C)c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1C)c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C52H42Si/c1-5-53(6-2,47-29-27-38-24-23-36-16-13-17-37-26-28-45(47)51(38)49(36)37)48-31-33(3)46(30-34(48)4)52-43-20-11-9-18-41(43)50(42-19-10-12-21-44(42)52)40-25-22-35-14-7-8-15-39(35)32-40/h7-32H,5-6H2,1-4H3
InChIKeyKMFQQTCFIJJPRR-UHFFFAOYSA-N
MW694.99 g/mol
LogP13.60
Rot. Bonds6

About [2,5-dimethyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diethyl-pyren-1-ylsilane

[2,5-dimethyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diethyl-pyren-1-ylsilane (PubChem CID 140868263) has the molecular formula C52H42Si and a molecular weight of 694.99 g/mol. Its IUPAC name is [2,5-dimethyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diethyl-pyren-1-ylsilane.

Molecular Properties

Compound Name[2,5-dimethyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diethyl-pyren-1-ylsilane
PubChem CID140868263
Molecular FormulaC52H42Si
Molecular Weight694.99 g/mol
Exact Mass694.31
IUPAC Name[2,5-dimethyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diethyl-pyren-1-ylsilane
SMILESCC[Si](CC)(c1cc(C)c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1C)c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C52H42Si/c1-5-53(6-2,47-29-27-38-24-23-36-16-13-17-37-26-28-45(47)51(38)49(36)37)48-31-33(3)46(30-34(48)4)52-43-20-11-9-18-41(43)50(42-19-10-12-21-44(42)52)40-25-22-35-14-7-8-15-39(35)32-40/h7-32H,5-6H2,1-4H3
InChIKeyKMFQQTCFIJJPRR-UHFFFAOYSA-N
XLogP13.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.99
LogP ≤ 513.60
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'}

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Related Compounds

[2,5-dimethyl-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane
CID 123597611
[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane
CID 140868264
dimethyl-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-pyren-1-ylsilane
CID 123743474
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
7-phenanthren-2-yl-12-pyren-1-ylbenzo[a]anthracene
CID 59575215
9,10-dinaphthalen-1-ylanthracene;4-(10-naphthalen-1-ylanthracen-9-yl)pyrene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-phenanthren-9-ylanthracene;9-naphthalen-2-yl-10-phenanthren-9-ylanthracene;4-(10-phenylanthracen-9-yl)pyrene
CID 157157236
9,10-dinaphthalen-1-yl-2-phenanthren-9-ylanthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene;1-(2-phenanthren-9-yl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 160675826
14,14-dimethyl-8-naphthalen-2-ylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 140800333
9-naphthalen-1-yl-10-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene
CID 153465608
1,6-bis(2,5-dimethyl-4-naphthalen-2-ylphenyl)pyrene
CID 132596245
methane;9-naphthalen-2-yl-10-[3-(2,4,6-trimethylphenyl)phenyl]anthracene
CID 143043876
ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene
CID 157325912

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diethyl-pyren-1-ylsilane?
The IUPAC name of [2,5-dimethyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diethyl-pyren-1-ylsilane (CID 140868263) is [2,5-dimethyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diethyl-pyren-1-ylsilane.
What is the SMILES notation for [2,5-dimethyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diethyl-pyren-1-ylsilane?
The canonical SMILES for [2,5-dimethyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diethyl-pyren-1-ylsilane is CC[Si](CC)(c1cc(C)c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1C)c1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of [2,5-dimethyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diethyl-pyren-1-ylsilane?
The InChIKey is KMFQQTCFIJJPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42Si/c1-5-53(6-2,47-29-27-38-24-23-36-16-13-17-37-26-28-45(47)51(38)49(36)37)48-31-33(3)46(30-34(48)4)52-43-20-11-9-18-41(43)50(42-19-10-12-21-44(42)52)40-25-22-35-14-7-8-15-39(35)32-40/h7-32H,5-6H2,1-4H3.
What are the key properties of [2,5-dimethyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diethyl-pyren-1-ylsilane?
[2,5-dimethyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diethyl-pyren-1-ylsilane has a molecular weight of 694.99 g/mol, XLogP of 13.60, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diethyl-pyren-1-ylsilane is sourced from PubChem (CID 140868263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).