[4-[3,8-bis(2,6-dimethylphenyl)-6-(4-trimethylsilylphenyl)pyren-1-yl]phenyl]-trimethylsilane

C50H50Si2 — CID 59391265

IUPAC[4-[3,8-bis(2,6-dimethylphenyl)-6-(4-trimethylsilylphenyl)pyren-1-yl]phenyl]-trimethylsilane
SMILESCc1cccc(C)c1-c1cc(-c2ccc([Si](C)(C)C)cc2)c2ccc3c(-c4c(C)cccc4C)cc(-c4ccc([Si](C)(C)C)cc4)c4ccc1c2c43
InChIInChI=1S/C50H50Si2/c1-31-13-11-14-32(2)47(31)45-29-43(35-17-21-37(22-18-35)51(5,6)7)39-26-28-42-46(48-33(3)15-12-16-34(48)4)30-44(40-25-27-41(45)49(39)50(40)42)36-19-23-38(24-20-36)52(8,9)10/h11-30H,1-10H3
InChIKeyZKALXPLLCHEORD-UHFFFAOYSA-N
MW707.12 g/mol
LogP13.58
Rot. Bonds6

About [4-[3,8-bis(2,6-dimethylphenyl)-6-(4-trimethylsilylphenyl)pyren-1-yl]phenyl]-trimethylsilane

[4-[3,8-bis(2,6-dimethylphenyl)-6-(4-trimethylsilylphenyl)pyren-1-yl]phenyl]-trimethylsilane (PubChem CID 59391265) has the molecular formula C50H50Si2 and a molecular weight of 707.12 g/mol. Its IUPAC name is [4-[3,8-bis(2,6-dimethylphenyl)-6-(4-trimethylsilylphenyl)pyren-1-yl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[3,8-bis(2,6-dimethylphenyl)-6-(4-trimethylsilylphenyl)pyren-1-yl]phenyl]-trimethylsilane
PubChem CID59391265
Molecular FormulaC50H50Si2
Molecular Weight707.12 g/mol
Exact Mass706.35
IUPAC Name[4-[3,8-bis(2,6-dimethylphenyl)-6-(4-trimethylsilylphenyl)pyren-1-yl]phenyl]-trimethylsilane
SMILESCc1cccc(C)c1-c1cc(-c2ccc([Si](C)(C)C)cc2)c2ccc3c(-c4c(C)cccc4C)cc(-c4ccc([Si](C)(C)C)cc4)c4ccc1c2c43
InChIInChI=1S/C50H50Si2/c1-31-13-11-14-32(2)47(31)45-29-43(35-17-21-37(22-18-35)51(5,6)7)39-26-28-42-46(48-33(3)15-12-16-34(48)4)30-44(40-25-27-41(45)49(39)50(40)42)36-19-23-38(24-20-36)52(8,9)10/h11-30H,1-10H3
InChIKeyZKALXPLLCHEORD-UHFFFAOYSA-N
XLogP13.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.12
LogP ≤ 513.58
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_3', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[4-[3,6,8-tris(3,5-diphenylphenyl)pyren-1-yl]phenyl]silane
CID 59391113
[3-[6-[3,5-bis(trimethylsilyl)phenyl]-3,8-bis(4-methylphenyl)pyren-1-yl]-5-trimethylsilylphenyl]-trimethylsilane
CID 59391032
4-[3,6,8-tris(4-trimethylsilylphenyl)pyren-1-yl]benzonitrile
CID 59391192
1-(4-tert-butylphenyl)-3,6,8-tri(phenanthren-9-yl)pyrene;1-(4-methylphenyl)-3,6,8-tri(phenanthren-9-yl)pyrene;trimethyl-[4-[3,6,8-tri(phenanthren-9-yl)pyren-1-yl]phenyl]silane
CID 161427818
3,8-diphenyl-1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383859
1-N,6-N-bis(3,4-dimethylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383819
N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]-3,9-bis(trimethylsilyl)chrysen-6-yl]aniline
CID 58879315
1,3,6,8-tetrakis(2,4,6-trimethylphenyl)pyrene
CID 59575113
1-N,6-N-bis(3-methylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383811
1-N,6-N-bis(4-tert-butylphenyl)-3,8-bis(4-methylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383913
[4-[3,8-bis(4-methylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane
CID 59391126
N-phenyl-N-(4-trimethylsilylphenyl)-4-[6-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]benzo[e]pyren-3-yl]aniline
CID 123737685

Frequently Asked Questions

What is the IUPAC name of [4-[3,8-bis(2,6-dimethylphenyl)-6-(4-trimethylsilylphenyl)pyren-1-yl]phenyl]-trimethylsilane?
The IUPAC name of [4-[3,8-bis(2,6-dimethylphenyl)-6-(4-trimethylsilylphenyl)pyren-1-yl]phenyl]-trimethylsilane (CID 59391265) is [4-[3,8-bis(2,6-dimethylphenyl)-6-(4-trimethylsilylphenyl)pyren-1-yl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[3,8-bis(2,6-dimethylphenyl)-6-(4-trimethylsilylphenyl)pyren-1-yl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[3,8-bis(2,6-dimethylphenyl)-6-(4-trimethylsilylphenyl)pyren-1-yl]phenyl]-trimethylsilane is Cc1cccc(C)c1-c1cc(-c2ccc([Si](C)(C)C)cc2)c2ccc3c(-c4c(C)cccc4C)cc(-c4ccc([Si](C)(C)C)cc4)c4ccc1c2c43.
What is the InChIKey of [4-[3,8-bis(2,6-dimethylphenyl)-6-(4-trimethylsilylphenyl)pyren-1-yl]phenyl]-trimethylsilane?
The InChIKey is ZKALXPLLCHEORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H50Si2/c1-31-13-11-14-32(2)47(31)45-29-43(35-17-21-37(22-18-35)51(5,6)7)39-26-28-42-46(48-33(3)15-12-16-34(48)4)30-44(40-25-27-41(45)49(39)50(40)42)36-19-23-38(24-20-36)52(8,9)10/h11-30H,1-10H3.
What are the key properties of [4-[3,8-bis(2,6-dimethylphenyl)-6-(4-trimethylsilylphenyl)pyren-1-yl]phenyl]-trimethylsilane?
[4-[3,8-bis(2,6-dimethylphenyl)-6-(4-trimethylsilylphenyl)pyren-1-yl]phenyl]-trimethylsilane has a molecular weight of 707.12 g/mol, XLogP of 13.58, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,8-bis(2,6-dimethylphenyl)-6-(4-trimethylsilylphenyl)pyren-1-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 59391265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).