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

C60H42Si — CID 123597611

IUPAC[2,5-dimethyl-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane
SMILESCc1cc([Si](c2ccccc2)(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)c(C)cc1-c1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C60H42Si/c1-39-38-56(40(2)37-54(39)60-51-28-13-11-26-49(51)59(50-27-12-14-29-52(50)60)48-30-16-18-41-17-9-10-25-47(41)48)61(45-21-5-3-6-22-45,46-23-7-4-8-24-46)55-36-34-44-32-31-42-19-15-20-43-33-35-53(55)58(44)57(42)43/h3-38H,1-2H3
InChIKeyAAXDCZRTIDSVHF-UHFFFAOYSA-N
MW791.08 g/mol
LogP13.37
Rot. Bonds6

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

[2,5-dimethyl-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane (PubChem CID 123597611) has the molecular formula C60H42Si and a molecular weight of 791.08 g/mol. Its IUPAC name is [2,5-dimethyl-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane.

Molecular Properties

Compound Name[2,5-dimethyl-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane
PubChem CID123597611
Molecular FormulaC60H42Si
Molecular Weight791.08 g/mol
Exact Mass790.31
IUPAC Name[2,5-dimethyl-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane
SMILESCc1cc([Si](c2ccccc2)(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)c(C)cc1-c1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C60H42Si/c1-39-38-56(40(2)37-54(39)60-51-28-13-11-26-49(51)59(50-27-12-14-29-52(50)60)48-30-16-18-41-17-9-10-25-47(41)48)61(45-21-5-3-6-22-45,46-23-7-4-8-24-46)55-36-34-44-32-31-42-19-15-20-43-33-35-53(55)58(44)57(42)43/h3-38H,1-2H3
InChIKeyAAXDCZRTIDSVHF-UHFFFAOYSA-N
XLogP13.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.08
LogP ≤ 513.37
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

[2,5-dimethyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diethyl-pyren-1-ylsilane
CID 140868263
(9,10-dinaphthalen-1-yl-6-triphenylsilylanthracen-2-yl)-triphenylsilane
CID 59348604
[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane
CID 140868264
4-(10-naphthalen-1-ylanthracen-9-yl)pyrene
CID 123502506
3-methyl-1,6-dinaphthalen-1-ylpyrene
CID 142716789
1,3-dimethyl-2-naphthalen-1-ylphenanthrene
CID 15440758
1-(1,5-dinaphthalen-1-yl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 143933798
1-(2-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)pyrene
CID 58322883
1-(2-tert-butyl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 71414007
dimethyl-naphthalen-2-yl-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]silane
CID 123357523
6,15-bis(2-methylphenyl)-12,22-dinaphthalen-1-ylhexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2(11),3,5,7,9,12,14,16,18,20(22)-undecaene
CID 101396816
13-pyren-1-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 145350843

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane?
The IUPAC name of [2,5-dimethyl-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane (CID 123597611) is [2,5-dimethyl-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane.
What is the SMILES notation for [2,5-dimethyl-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane?
The canonical SMILES for [2,5-dimethyl-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane is Cc1cc([Si](c2ccccc2)(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)c(C)cc1-c1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12.
What is the InChIKey of [2,5-dimethyl-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane?
The InChIKey is AAXDCZRTIDSVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42Si/c1-39-38-56(40(2)37-54(39)60-51-28-13-11-26-49(51)59(50-27-12-14-29-52(50)60)48-30-16-18-41-17-9-10-25-47(41)48)61(45-21-5-3-6-22-45,46-23-7-4-8-24-46)55-36-34-44-32-31-42-19-15-20-43-33-35-53(55)58(44)57(42)43/h3-38H,1-2H3.
What are the key properties of [2,5-dimethyl-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane?
[2,5-dimethyl-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane has a molecular weight of 791.08 g/mol, XLogP of 13.37, 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-1-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane is sourced from PubChem (CID 123597611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).