4,10c-dihydropyren-1-yl-[4-[10-[4-[dimethyl(phenyl)silyl]phenyl]-3-phenylanthracen-9-yl]phenyl]-dimethylsilane

C58H48Si2 — CID 123296950

IUPAC4,10c-dihydropyren-1-yl-[4-[10-[4-[dimethyl(phenyl)silyl]phenyl]-3-phenylanthracen-9-yl]phenyl]-dimethylsilane
SMILESC[Si](C)(c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc([Si](C)(C)c4ccc5c6c4C=CC4=CC=CC(=CC5)C46)cc3)c3ccc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C58H48Si2/c1-59(2,46-18-9-6-10-19-46)47-31-24-43(25-32-47)57-50-21-12-11-20-49(50)56(51-35-29-45(38-53(51)57)39-14-7-5-8-15-39)42-26-33-48(34-27-42)60(3,4)54-37-30-44-23-22-40-16-13-17-41-28-36-52(54)58(44)55(40)41/h5-22,24-38,55H,23H2,1-4H3
InChIKeyMHGKJVUMECHPQP-UHFFFAOYSA-N
MW801.19 g/mol
LogP12.73
Rot. Bonds7

About 4,10c-dihydropyren-1-yl-[4-[10-[4-[dimethyl(phenyl)silyl]phenyl]-3-phenylanthracen-9-yl]phenyl]-dimethylsilane

4,10c-dihydropyren-1-yl-[4-[10-[4-[dimethyl(phenyl)silyl]phenyl]-3-phenylanthracen-9-yl]phenyl]-dimethylsilane (PubChem CID 123296950) has the molecular formula C58H48Si2 and a molecular weight of 801.19 g/mol. Its IUPAC name is 4,10c-dihydropyren-1-yl-[4-[10-[4-[dimethyl(phenyl)silyl]phenyl]-3-phenylanthracen-9-yl]phenyl]-dimethylsilane.

Molecular Properties

Compound Name4,10c-dihydropyren-1-yl-[4-[10-[4-[dimethyl(phenyl)silyl]phenyl]-3-phenylanthracen-9-yl]phenyl]-dimethylsilane
PubChem CID123296950
Molecular FormulaC58H48Si2
Molecular Weight801.19 g/mol
Exact Mass800.33
IUPAC Name4,10c-dihydropyren-1-yl-[4-[10-[4-[dimethyl(phenyl)silyl]phenyl]-3-phenylanthracen-9-yl]phenyl]-dimethylsilane
SMILESC[Si](C)(c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc([Si](C)(C)c4ccc5c6c4C=CC4=CC=CC(=CC5)C46)cc3)c3ccc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C58H48Si2/c1-59(2,46-18-9-6-10-19-46)47-31-24-43(25-32-47)57-50-21-12-11-20-49(50)56(51-35-29-45(38-53(51)57)39-14-7-5-8-15-39)42-26-33-48(34-27-42)60(3,4)54-37-30-44-23-22-40-16-13-17-41-28-36-52(54)58(44)55(40)41/h5-22,24-38,55H,23H2,1-4H3
InChIKeyMHGKJVUMECHPQP-UHFFFAOYSA-N
XLogP12.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.19
LogP ≤ 512.73
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

[4-[10-[4-[dimethyl-(6-phenyl-4,10c-dihydropyren-1-yl)silyl]phenyl]anthracen-9-yl]phenyl]-dimethyl-(6-phenyl-4,10c-dihydropyren-1-yl)silane
CID 123803686
1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-4,10c-dihydropyrene
CID 171739934
5-[4-[4-(4,10c-dihydropyren-1-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
CID 155019007
[4-[10-[4-[dimethyl(naphthalen-1-yl)silyl]phenyl]-2-phenylanthracen-9-yl]phenyl]-dimethyl-naphthalen-2-ylsilane
CID 123901626
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
[4-(2,10-diphenylanthracen-9-yl)phenyl]-dimethyl-(9-phenylcarbazol-3-yl)silane
CID 123602707
(9,9-diphenylfluoren-2-yl)-[4-[10-[4-[(9,9-diphenylfluoren-2-yl)-dimethylsilyl]phenyl]-2-phenylanthracen-9-yl]phenyl]-dimethylsilane
CID 123920496
trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane
CID 157160990
2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 59583037

Frequently Asked Questions

What is the IUPAC name of 4,10c-dihydropyren-1-yl-[4-[10-[4-[dimethyl(phenyl)silyl]phenyl]-3-phenylanthracen-9-yl]phenyl]-dimethylsilane?
The IUPAC name of 4,10c-dihydropyren-1-yl-[4-[10-[4-[dimethyl(phenyl)silyl]phenyl]-3-phenylanthracen-9-yl]phenyl]-dimethylsilane (CID 123296950) is 4,10c-dihydropyren-1-yl-[4-[10-[4-[dimethyl(phenyl)silyl]phenyl]-3-phenylanthracen-9-yl]phenyl]-dimethylsilane.
What is the SMILES notation for 4,10c-dihydropyren-1-yl-[4-[10-[4-[dimethyl(phenyl)silyl]phenyl]-3-phenylanthracen-9-yl]phenyl]-dimethylsilane?
The canonical SMILES for 4,10c-dihydropyren-1-yl-[4-[10-[4-[dimethyl(phenyl)silyl]phenyl]-3-phenylanthracen-9-yl]phenyl]-dimethylsilane is C[Si](C)(c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc([Si](C)(C)c4ccc5c6c4C=CC4=CC=CC(=CC5)C46)cc3)c3ccc(-c4ccccc4)cc23)cc1.
What is the InChIKey of 4,10c-dihydropyren-1-yl-[4-[10-[4-[dimethyl(phenyl)silyl]phenyl]-3-phenylanthracen-9-yl]phenyl]-dimethylsilane?
The InChIKey is MHGKJVUMECHPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48Si2/c1-59(2,46-18-9-6-10-19-46)47-31-24-43(25-32-47)57-50-21-12-11-20-49(50)56(51-35-29-45(38-53(51)57)39-14-7-5-8-15-39)42-26-33-48(34-27-42)60(3,4)54-37-30-44-23-22-40-16-13-17-41-28-36-52(54)58(44)55(40)41/h5-22,24-38,55H,23H2,1-4H3.
What are the key properties of 4,10c-dihydropyren-1-yl-[4-[10-[4-[dimethyl(phenyl)silyl]phenyl]-3-phenylanthracen-9-yl]phenyl]-dimethylsilane?
4,10c-dihydropyren-1-yl-[4-[10-[4-[dimethyl(phenyl)silyl]phenyl]-3-phenylanthracen-9-yl]phenyl]-dimethylsilane has a molecular weight of 801.19 g/mol, XLogP of 12.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10c-dihydropyren-1-yl-[4-[10-[4-[dimethyl(phenyl)silyl]phenyl]-3-phenylanthracen-9-yl]phenyl]-dimethylsilane is sourced from PubChem (CID 123296950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).