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

C200H132Si — CID 161427818

About 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

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 (PubChem CID 161427818) has the molecular formula C200H132Si and a molecular weight of 2563.34 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161427818
• Molecular Formula: C200H132Si
• Molecular Weight: 2563.34 g/mol
• Exact Mass: 2561.01
• IUPAC Name: 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
• SMILES: CC(C)(C)c1ccc(-c2cc(-c3cc4ccccc4c4ccccc34)c3ccc4c(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)c5ccc2c3c54)cc1.C[Si](C)(C)c1ccc(-c2cc(-c3cc4ccccc4c4ccccc34)c3ccc4c(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)c5ccc2c3c54)cc1.Cc1ccc(-c2cc(-c3cc4ccccc4c4ccccc34)c3ccc4c(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)c5ccc2c3c54)cc1
• InChI: InChI=1S/C68H46.C67H46Si.C65H40/c2*1-68(2,3)45-30-28-41(29-31-45)59-39-63(60-36-42-16-4-7-19-46(42)49-22-10-13-25-52(49)60)56-34-35-58-65(62-38-44-18-6-9-21-48(44)51-24-12-15-27-54(51)62)40-64(57-33-32-55(59)66(56)67(57)58)61-37-43-17-5-8-20-47(43)50-23-11-14-26-53(50)61;1-39-26-28-40(29-27-39)57-37-61(58-34-41-14-2-5-17-44(41)47-20-8-11-23-50(47)58)54-32-33-56-63(60-36-43-16-4-7-19-46(43)49-22-10-13-25-52(49)60)38-62(55-31-30-53(57)64(54)65(55)56)59-35-42-15-3-6-18-45(42)48-21-9-12-24-51(48)59/h2*4-40H,1-3H3;2-38H,1H3
• InChIKey: VXPJBOOZPIRKOD-UHFFFAOYSA-N
• XLogP: 56.66
• TPSA: 0.00 Ų
• Rotatable Bonds: 13
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2563.34
LogP ≤ 5	56.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)c1ccc(-c2cc(-c3cc4ccccc4c4ccccc34)c3ccc4c(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)c5ccc2c3c54)cc1.C[Si](C)(C)c1ccc(-c2cc(-c3cc4ccccc4c4ccccc34)c3ccc4c(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)c5ccc2c3c54)cc1.Cc1ccc(-c2cc(-c3cc4ccccc4c4ccccc34)c3ccc4c(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)c5ccc2c3c54)cc1.

What is the InChIKey of 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?

The InChIKey is VXPJBOOZPIRKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46.C67H46Si.C65H40/c2*1-68(2,3)45-30-28-41(29-31-45)59-39-63(60-36-42-16-4-7-19-46(42)49-22-10-13-25-52(49)60)56-34-35-58-65(62-38-44-18-6-9-21-48(44)51-24-12-15-27-54(51)62)40-64(57-33-32-55(59)66(56)67(57)58)61-37-43-17-5-8-20-47(43)50-23-11-14-26-53(50)61;1-39-26-28-40(29-27-39)57-37-61(58-34-41-14-2-5-17-44(41)47-20-8-11-23-50(47)58)54-32-33-56-63(60-36-43-16-4-7-19-46(43)49-22-10-13-25-52(49)60)38-62(55-31-30-53(57)64(54)65(55)56)59-35-42-15-3-6-18-45(42)48-21-9-12-24-51(48)59/h2*4-40H,1-3H3;2-38H,1H3.

What are the key properties of 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?

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 has a molecular weight of 2563.34 g/mol, XLogP of 56.66, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161427818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).