triphenyl-[3-[12-[3-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]silane

C60H42N2Si — CID 172534554

About triphenyl-[3-[12-[3-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]silane

triphenyl-[3-[12-[3-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]silane (PubChem CID 172534554) has the molecular formula C60H42N2Si and a molecular weight of 819.10 g/mol. Its IUPAC name is triphenyl-[3-[12-[3-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-[12-[3-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]silane
• PubChem CID: 172534554
• Molecular Formula: C60H42N2Si
• Molecular Weight: 819.10 g/mol
• Exact Mass: 818.31
• IUPAC Name: triphenyl-[3-[12-[3-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]silane
• SMILES: c1ccc(-c2ccccc2-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c43)c2)cc1
• InChI: InChI=1S/C60H42N2Si/c1-5-21-43(22-6-1)51-33-13-14-34-52(51)44-23-19-24-45(41-44)62-56-37-17-15-35-53(56)54-39-40-58-59(60(54)62)55-36-16-18-38-57(55)61(58)46-25-20-32-50(42-46)63(47-26-7-2-8-27-47,48-28-9-3-10-29-48)49-30-11-4-12-31-49/h1-42H
• InChIKey: HMDUOLBPDFTMLQ-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.10
LogP ≤ 5	12.59
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 triphenyl-[3-[12-[3-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]silane?

The IUPAC name of triphenyl-[3-[12-[3-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]silane (CID 172534554) is triphenyl-[3-[12-[3-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]silane.

What is the SMILES notation for triphenyl-[3-[12-[3-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]silane?

The canonical SMILES for triphenyl-[3-[12-[3-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]silane is c1ccc(-c2ccccc2-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c43)c2)cc1.

What is the InChIKey of triphenyl-[3-[12-[3-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]silane?

The InChIKey is HMDUOLBPDFTMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2Si/c1-5-21-43(22-6-1)51-33-13-14-34-52(51)44-23-19-24-45(41-44)62-56-37-17-15-35-53(56)54-39-40-58-59(60(54)62)55-36-16-18-38-57(55)61(58)46-25-20-32-50(42-46)63(47-26-7-2-8-27-47,48-28-9-3-10-29-48)49-30-11-4-12-31-49/h1-42H.

What are the key properties of triphenyl-[3-[12-[3-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]silane?

triphenyl-[3-[12-[3-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]silane has a molecular weight of 819.10 g/mol, XLogP of 12.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[3-[12-[3-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]silane is sourced from PubChem (CID 172534554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).