[9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-trimethylsilane

C45H39N3Si — CID 177088012

About [9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-trimethylsilane

[9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-trimethylsilane (PubChem CID 177088012) has the molecular formula C45H39N3Si and a molecular weight of 649.91 g/mol. Its IUPAC name is [9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-trimethylsilane
• PubChem CID: 177088012
• Molecular Formula: C45H39N3Si
• Molecular Weight: 649.91 g/mol
• Exact Mass: 649.29
• IUPAC Name: [9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-trimethylsilane
• SMILES: CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)ccc2-c2ccc([Si](C)(C)C)cc21
• InChI: InChI=1S/C45H39N3Si/c1-45(2)40-28-35(23-25-38(40)39-26-24-37(29-41(39)45)49(3,4)5)34-17-12-18-36(27-34)44-47-42(32-15-10-7-11-16-32)46-43(48-44)33-21-19-31(20-22-33)30-13-8-6-9-14-30/h6-29H,1-5H3
• InChIKey: ANAMRZGZKCSKHM-UHFFFAOYSA-N
• XLogP: 11.06
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.91
LogP ≤ 5	11.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-trimethylsilane?

The IUPAC name of [9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-trimethylsilane (CID 177088012) is [9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-trimethylsilane.

What is the SMILES notation for [9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-trimethylsilane?

The canonical SMILES for [9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-trimethylsilane is CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)ccc2-c2ccc([Si](C)(C)C)cc21.

What is the InChIKey of [9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-trimethylsilane?

The InChIKey is ANAMRZGZKCSKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H39N3Si/c1-45(2)40-28-35(23-25-38(40)39-26-24-37(29-41(39)45)49(3,4)5)34-17-12-18-36(27-34)44-47-42(32-15-10-7-11-16-32)46-43(48-44)33-21-19-31(20-22-33)30-13-8-6-9-14-30/h6-29H,1-5H3.

What are the key properties of [9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-trimethylsilane?

[9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-trimethylsilane has a molecular weight of 649.91 g/mol, XLogP of 11.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-trimethylsilane is sourced from PubChem (CID 177088012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).