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

C52H70Si6 — CID 153439241

IUPAC[2-[1,8-bis[2,6-bis(trimethylsilyl)phenyl]pyren-4-yl]-3-trimethylsilylphenyl]-trimethylsilane
SMILESC[Si](C)(C)c1cccc([Si](C)(C)C)c1-c1ccc2cc(-c3c([Si](C)(C)C)cccc3[Si](C)(C)C)c3ccc(-c4c([Si](C)(C)C)cccc4[Si](C)(C)C)c4ccc1c2c43
InChIInChI=1S/C52H70Si6/c1-53(2,3)42-22-19-23-43(54(4,5)6)50(42)38-29-28-35-34-41(52-46(57(13,14)15)26-21-27-47(52)58(16,17)18)40-33-32-39(37-31-30-36(38)48(35)49(37)40)51-44(55(7,8)9)24-20-25-45(51)56(10,11)12/h19-34H,1-18H3
InChIKeyIKCXSTNPTPCLLH-UHFFFAOYSA-N
MW863.65 g/mol
LogP12.86
Rot. Bonds9

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

[2-[1,8-bis[2,6-bis(trimethylsilyl)phenyl]pyren-4-yl]-3-trimethylsilylphenyl]-trimethylsilane (PubChem CID 153439241) has the molecular formula C52H70Si6 and a molecular weight of 863.65 g/mol. Its IUPAC name is [2-[1,8-bis[2,6-bis(trimethylsilyl)phenyl]pyren-4-yl]-3-trimethylsilylphenyl]-trimethylsilane.

Molecular Properties

Compound Name[2-[1,8-bis[2,6-bis(trimethylsilyl)phenyl]pyren-4-yl]-3-trimethylsilylphenyl]-trimethylsilane
PubChem CID153439241
Molecular FormulaC52H70Si6
Molecular Weight863.65 g/mol
Exact Mass862.41
IUPAC Name[2-[1,8-bis[2,6-bis(trimethylsilyl)phenyl]pyren-4-yl]-3-trimethylsilylphenyl]-trimethylsilane
SMILESC[Si](C)(C)c1cccc([Si](C)(C)C)c1-c1ccc2cc(-c3c([Si](C)(C)C)cccc3[Si](C)(C)C)c3ccc(-c4c([Si](C)(C)C)cccc4[Si](C)(C)C)c4ccc1c2c43
InChIInChI=1S/C52H70Si6/c1-53(2,3)42-22-19-23-43(54(4,5)6)50(42)38-29-28-35-34-41(52-46(57(13,14)15)26-21-27-47(52)58(16,17)18)40-33-32-39(37-31-30-36(38)48(35)49(37)40)51-44(55(7,8)9)24-20-25-45(51)56(10,11)12/h19-34H,1-18H3
InChIKeyIKCXSTNPTPCLLH-UHFFFAOYSA-N
XLogP12.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.65
LogP ≤ 512.86
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'}

Analyze [2-[1,8-bis[2,6-bis(trimethylsilyl)phenyl]pyren-4-yl]-3-trimethylsilylphenyl]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pyren-4-ylpyrene
CID 71343129
1-(2,3,4,5-tetranaphthalen-2-yl-6-pyren-4-ylphenyl)pyrene
CID 59993826
4-(10-naphthalen-1-ylanthracen-9-yl)pyrene
CID 123502506
19-(4-pyren-1-ylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaene
CID 167412019
trimethyl-(10-trimethylsilylfluoranthen-7-yl)silane
CID 10970070
1,5-di(phenanthren-9-yl)pyrene
CID 155759767
1,8-di(pyren-1-yl)pyrene
CID 58915622
1,3,6,8-tetra(phenanthren-9-yl)pyrene;trimethyl-[4-[3,6,8-tri(phenanthren-9-yl)pyren-1-yl]naphthalen-1-yl]silane;1,3,6-tri(phenanthren-9-yl)-8-phenylpyrene
CID 160979327
[4-[3,8-bis(4-phenylnaphthalen-1-yl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane;1,6-dinaphthalen-1-yl-3,8-bis(4-phenylnaphthalen-1-yl)pyrene;1,6-di(phenanthren-9-yl)-3,8-bis(4-phenylnaphthalen-1-yl)pyrene
CID 162208295
2-[6-[4,6-bis(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-4,6-bis(2,6-dimethylphenyl)-1,3,5-triazine
CID 58454310
[4-[3,8-bis(4-naphthalen-2-ylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane
CID 59391271
3,10,17,20-tetra(pyren-4-yl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene
CID 140722753

Frequently Asked Questions

What is the IUPAC name of [2-[1,8-bis[2,6-bis(trimethylsilyl)phenyl]pyren-4-yl]-3-trimethylsilylphenyl]-trimethylsilane?
The IUPAC name of [2-[1,8-bis[2,6-bis(trimethylsilyl)phenyl]pyren-4-yl]-3-trimethylsilylphenyl]-trimethylsilane (CID 153439241) is [2-[1,8-bis[2,6-bis(trimethylsilyl)phenyl]pyren-4-yl]-3-trimethylsilylphenyl]-trimethylsilane.
What is the SMILES notation for [2-[1,8-bis[2,6-bis(trimethylsilyl)phenyl]pyren-4-yl]-3-trimethylsilylphenyl]-trimethylsilane?
The canonical SMILES for [2-[1,8-bis[2,6-bis(trimethylsilyl)phenyl]pyren-4-yl]-3-trimethylsilylphenyl]-trimethylsilane is C[Si](C)(C)c1cccc([Si](C)(C)C)c1-c1ccc2cc(-c3c([Si](C)(C)C)cccc3[Si](C)(C)C)c3ccc(-c4c([Si](C)(C)C)cccc4[Si](C)(C)C)c4ccc1c2c43.
What is the InChIKey of [2-[1,8-bis[2,6-bis(trimethylsilyl)phenyl]pyren-4-yl]-3-trimethylsilylphenyl]-trimethylsilane?
The InChIKey is IKCXSTNPTPCLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H70Si6/c1-53(2,3)42-22-19-23-43(54(4,5)6)50(42)38-29-28-35-34-41(52-46(57(13,14)15)26-21-27-47(52)58(16,17)18)40-33-32-39(37-31-30-36(38)48(35)49(37)40)51-44(55(7,8)9)24-20-25-45(51)56(10,11)12/h19-34H,1-18H3.
What are the key properties of [2-[1,8-bis[2,6-bis(trimethylsilyl)phenyl]pyren-4-yl]-3-trimethylsilylphenyl]-trimethylsilane?
[2-[1,8-bis[2,6-bis(trimethylsilyl)phenyl]pyren-4-yl]-3-trimethylsilylphenyl]-trimethylsilane has a molecular weight of 863.65 g/mol, XLogP of 12.86, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1,8-bis[2,6-bis(trimethylsilyl)phenyl]pyren-4-yl]-3-trimethylsilylphenyl]-trimethylsilane is sourced from PubChem (CID 153439241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).