1,8-dinaphthalen-1-ylpyrene;1,3,6,8-tetraphenylpyrene;trimethyl-[2,3,5,6-tetradeuterio-4-[6-(2,3,5,6-tetradeuterio-4-trimethylsilylphenyl)pyren-1-yl]phenyl]silane

C110H82Si2 — CID 160911824

IUPAC1,8-dinaphthalen-1-ylpyrene;1,3,6,8-tetraphenylpyrene;trimethyl-[2,3,5,6-tetradeuterio-4-[6-(2,3,5,6-tetradeuterio-4-trimethylsilylphenyl)pyren-1-yl]phenyl]silane
SMILES[2H]c1c([2H])c([Si](C)(C)C)c([2H])c([2H])c1-c1ccc2ccc3c(-c4c([2H])c([2H])c([Si](C)(C)C)c([2H])c4[2H])ccc4ccc1c2c43.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccccc5)c5ccc2c3c54)cc1.c1ccc2c(-c3ccc4ccc5ccc(-c6cccc7ccccc67)c6ccc3c4c56)cccc2c1
InChIInChI=1S/C40H26.C36H22.C34H34Si2/c1-5-13-27(14-6-1)35-25-36(28-15-7-2-8-16-28)32-23-24-34-38(30-19-11-4-12-20-30)26-37(29-17-9-3-10-18-29)33-22-21-31(35)39(32)40(33)34;1-3-11-27-23(7-1)9-5-13-29(27)31-19-17-25-15-16-26-18-20-32(34-22-21-33(31)35(25)36(26)34)30-14-6-10-24-8-2-4-12-28(24)30;1-35(2,3)27-15-7-23(8-16-27)29-19-11-25-14-22-32-30(24-9-17-28(18-10-24)36(4,5)6)20-12-26-13-21-31(29)33(25)34(26)32/h1-26H;1-22H;7-22H,1-6H3/i;;7D,8D,9D,10D,15D,16D,17D,18D
InChIKeySQWRXBHYPHIRBF-CNRGXXEYSA-N
MW1468.09 g/mol
LogP30.48
Rot. Bonds10

About 1,8-dinaphthalen-1-ylpyrene;1,3,6,8-tetraphenylpyrene;trimethyl-[2,3,5,6-tetradeuterio-4-[6-(2,3,5,6-tetradeuterio-4-trimethylsilylphenyl)pyren-1-yl]phenyl]silane

1,8-dinaphthalen-1-ylpyrene;1,3,6,8-tetraphenylpyrene;trimethyl-[2,3,5,6-tetradeuterio-4-[6-(2,3,5,6-tetradeuterio-4-trimethylsilylphenyl)pyren-1-yl]phenyl]silane (PubChem CID 160911824) has the molecular formula C110H82Si2 and a molecular weight of 1468.09 g/mol. Its IUPAC name is 1,8-dinaphthalen-1-ylpyrene;1,3,6,8-tetraphenylpyrene;trimethyl-[2,3,5,6-tetradeuterio-4-[6-(2,3,5,6-tetradeuterio-4-trimethylsilylphenyl)pyren-1-yl]phenyl]silane.

Molecular Properties

Compound Name1,8-dinaphthalen-1-ylpyrene;1,3,6,8-tetraphenylpyrene;trimethyl-[2,3,5,6-tetradeuterio-4-[6-(2,3,5,6-tetradeuterio-4-trimethylsilylphenyl)pyren-1-yl]phenyl]silane
PubChem CID160911824
Molecular FormulaC110H82Si2
Molecular Weight1468.09 g/mol
Exact Mass1466.65
IUPAC Name1,8-dinaphthalen-1-ylpyrene;1,3,6,8-tetraphenylpyrene;trimethyl-[2,3,5,6-tetradeuterio-4-[6-(2,3,5,6-tetradeuterio-4-trimethylsilylphenyl)pyren-1-yl]phenyl]silane
SMILES[2H]c1c([2H])c([Si](C)(C)C)c([2H])c([2H])c1-c1ccc2ccc3c(-c4c([2H])c([2H])c([Si](C)(C)C)c([2H])c4[2H])ccc4ccc1c2c43.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccccc5)c5ccc2c3c54)cc1.c1ccc2c(-c3ccc4ccc5ccc(-c6cccc7ccccc67)c6ccc3c4c56)cccc2c1
InChIInChI=1S/C40H26.C36H22.C34H34Si2/c1-5-13-27(14-6-1)35-25-36(28-15-7-2-8-16-28)32-23-24-34-38(30-19-11-4-12-20-30)26-37(29-17-9-3-10-18-29)33-22-21-31(35)39(32)40(33)34;1-3-11-27-23(7-1)9-5-13-29(27)31-19-17-25-15-16-26-18-20-32(34-22-21-33(31)35(25)36(26)34)30-14-6-10-24-8-2-4-12-28(24)30;1-35(2,3)27-15-7-23(8-16-27)29-19-11-25-14-22-32-30(24-9-17-28(18-10-24)36(4,5)6)20-12-26-13-21-31(29)33(25)34(26)32/h1-26H;1-22H;7-22H,1-6H3/i;;7D,8D,9D,10D,15D,16D,17D,18D
InChIKeySQWRXBHYPHIRBF-CNRGXXEYSA-N
XLogP30.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001468.09
LogP ≤ 530.48
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 1,8-dinaphthalen-1-ylpyrene;1,3,6,8-tetraphenylpyrene;trimethyl-[2,3,5,6-tetradeuterio-4-[6-(2,3,5,6-tetradeuterio-4-trimethylsilylphenyl)pyren-1-yl]phenyl]silane with MolForge

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Related Compounds

1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene
CID 158032644
1-naphthalen-1-yl-6-[6-[6-(2-phenylphenyl)pyren-1-yl]pyren-1-yl]pyrene
CID 58908206
1,6-dinaphthalen-1-yl-3,8-diphenylpyrene
CID 59391123
1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene
CID 169303234
1,3-bis(3-naphthalen-1-ylphenyl)-6,8-diphenylpyrene
CID 170778741
[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
1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene
CID 59391173
1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;1,6-dinaphthalen-1-yl-3-(3-phenylphenyl)pyrene;1,6-diphenyl-3-(4-phenylphenyl)pyrene
CID 159825914
1,6-diphenyl-3-(2-phenylphenyl)pyrene;1,6-diphenyl-3-(3-phenylphenyl)pyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;3-phenanthren-9-yl-1,6-diphenylpyrene
CID 160969963
1,3,6-tris(4-phenylphenyl)pyrene
CID 123689600
1-[2-(2-naphthalen-1-yl-5-pyren-1-ylphenyl)phenyl]pyrene
CID 169303134
3-phenanthren-9-yl-1,6-bis[2-(4-phenylphenyl)phenyl]pyrene;3-(4-phenylphenyl)-1,6-bis[2-(4-phenylphenyl)phenyl]pyrene
CID 158357725

Frequently Asked Questions

What is the IUPAC name of 1,8-dinaphthalen-1-ylpyrene;1,3,6,8-tetraphenylpyrene;trimethyl-[2,3,5,6-tetradeuterio-4-[6-(2,3,5,6-tetradeuterio-4-trimethylsilylphenyl)pyren-1-yl]phenyl]silane?
The IUPAC name of 1,8-dinaphthalen-1-ylpyrene;1,3,6,8-tetraphenylpyrene;trimethyl-[2,3,5,6-tetradeuterio-4-[6-(2,3,5,6-tetradeuterio-4-trimethylsilylphenyl)pyren-1-yl]phenyl]silane (CID 160911824) is 1,8-dinaphthalen-1-ylpyrene;1,3,6,8-tetraphenylpyrene;trimethyl-[2,3,5,6-tetradeuterio-4-[6-(2,3,5,6-tetradeuterio-4-trimethylsilylphenyl)pyren-1-yl]phenyl]silane.
What is the SMILES notation for 1,8-dinaphthalen-1-ylpyrene;1,3,6,8-tetraphenylpyrene;trimethyl-[2,3,5,6-tetradeuterio-4-[6-(2,3,5,6-tetradeuterio-4-trimethylsilylphenyl)pyren-1-yl]phenyl]silane?
The canonical SMILES for 1,8-dinaphthalen-1-ylpyrene;1,3,6,8-tetraphenylpyrene;trimethyl-[2,3,5,6-tetradeuterio-4-[6-(2,3,5,6-tetradeuterio-4-trimethylsilylphenyl)pyren-1-yl]phenyl]silane is [2H]c1c([2H])c([Si](C)(C)C)c([2H])c([2H])c1-c1ccc2ccc3c(-c4c([2H])c([2H])c([Si](C)(C)C)c([2H])c4[2H])ccc4ccc1c2c43.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccccc5)c5ccc2c3c54)cc1.c1ccc2c(-c3ccc4ccc5ccc(-c6cccc7ccccc67)c6ccc3c4c56)cccc2c1.
What is the InChIKey of 1,8-dinaphthalen-1-ylpyrene;1,3,6,8-tetraphenylpyrene;trimethyl-[2,3,5,6-tetradeuterio-4-[6-(2,3,5,6-tetradeuterio-4-trimethylsilylphenyl)pyren-1-yl]phenyl]silane?
The InChIKey is SQWRXBHYPHIRBF-CNRGXXEYSA-N. The full InChI is InChI=1S/C40H26.C36H22.C34H34Si2/c1-5-13-27(14-6-1)35-25-36(28-15-7-2-8-16-28)32-23-24-34-38(30-19-11-4-12-20-30)26-37(29-17-9-3-10-18-29)33-22-21-31(35)39(32)40(33)34;1-3-11-27-23(7-1)9-5-13-29(27)31-19-17-25-15-16-26-18-20-32(34-22-21-33(31)35(25)36(26)34)30-14-6-10-24-8-2-4-12-28(24)30;1-35(2,3)27-15-7-23(8-16-27)29-19-11-25-14-22-32-30(24-9-17-28(18-10-24)36(4,5)6)20-12-26-13-21-31(29)33(25)34(26)32/h1-26H;1-22H;7-22H,1-6H3/i;;7D,8D,9D,10D,15D,16D,17D,18D.
What are the key properties of 1,8-dinaphthalen-1-ylpyrene;1,3,6,8-tetraphenylpyrene;trimethyl-[2,3,5,6-tetradeuterio-4-[6-(2,3,5,6-tetradeuterio-4-trimethylsilylphenyl)pyren-1-yl]phenyl]silane?
1,8-dinaphthalen-1-ylpyrene;1,3,6,8-tetraphenylpyrene;trimethyl-[2,3,5,6-tetradeuterio-4-[6-(2,3,5,6-tetradeuterio-4-trimethylsilylphenyl)pyren-1-yl]phenyl]silane has a molecular weight of 1468.09 g/mol, XLogP of 30.48, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dinaphthalen-1-ylpyrene;1,3,6,8-tetraphenylpyrene;trimethyl-[2,3,5,6-tetradeuterio-4-[6-(2,3,5,6-tetradeuterio-4-trimethylsilylphenyl)pyren-1-yl]phenyl]silane is sourced from PubChem (CID 160911824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).