[4-(2-methylcarbazol-9-yl)phenyl]-diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]silane

C50H35F3N2Si — CID 90275936

About [4-(2-methylcarbazol-9-yl)phenyl]-diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]silane

[4-(2-methylcarbazol-9-yl)phenyl]-diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]silane (PubChem CID 90275936) has the molecular formula C50H35F3N2Si and a molecular weight of 748.92 g/mol. Its IUPAC name is [4-(2-methylcarbazol-9-yl)phenyl]-diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]silane.

Molecular Properties

• Compound Name: [4-(2-methylcarbazol-9-yl)phenyl]-diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]silane
• PubChem CID: 90275936
• Molecular Formula: C50H35F3N2Si
• Molecular Weight: 748.92 g/mol
• Exact Mass: 748.25
• IUPAC Name: [4-(2-methylcarbazol-9-yl)phenyl]-diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]silane
• SMILES: Cc1ccc2c3ccccc3n(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc(-n5c6ccccc6c6ccc(C(F)(F)F)cc65)cc4)cc3)c2c1
• InChI: InChI=1S/C50H35F3N2Si/c1-34-20-30-44-42-16-8-10-18-46(42)54(48(44)32-34)36-22-26-40(27-23-36)56(38-12-4-2-5-13-38,39-14-6-3-7-15-39)41-28-24-37(25-29-41)55-47-19-11-9-17-43(47)45-31-21-35(33-49(45)55)50(51,52)53/h2-33H,1H3
• InChIKey: SYLWYXUURNIMNF-UHFFFAOYSA-N
• XLogP: 10.59
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.92
LogP ≤ 5	10.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylcarbazol-9-yl)phenyl]-diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]silane?

The IUPAC name of [4-(2-methylcarbazol-9-yl)phenyl]-diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]silane (CID 90275936) is [4-(2-methylcarbazol-9-yl)phenyl]-diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]silane.

What is the SMILES notation for [4-(2-methylcarbazol-9-yl)phenyl]-diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]silane?

The canonical SMILES for [4-(2-methylcarbazol-9-yl)phenyl]-diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]silane is Cc1ccc2c3ccccc3n(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc(-n5c6ccccc6c6ccc(C(F)(F)F)cc65)cc4)cc3)c2c1.

What is the InChIKey of [4-(2-methylcarbazol-9-yl)phenyl]-diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]silane?

The InChIKey is SYLWYXUURNIMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35F3N2Si/c1-34-20-30-44-42-16-8-10-18-46(42)54(48(44)32-34)36-22-26-40(27-23-36)56(38-12-4-2-5-13-38,39-14-6-3-7-15-39)41-28-24-37(25-29-41)55-47-19-11-9-17-43(47)45-31-21-35(33-49(45)55)50(51,52)53/h2-33H,1H3.

What are the key properties of [4-(2-methylcarbazol-9-yl)phenyl]-diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]silane?

[4-(2-methylcarbazol-9-yl)phenyl]-diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]silane has a molecular weight of 748.92 g/mol, XLogP of 10.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-methylcarbazol-9-yl)phenyl]-diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]silane is sourced from PubChem (CID 90275936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).