4-[2-[6-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline

C65H48N2 — CID 123536272

About 4-[2-[6-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline

4-[2-[6-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline (PubChem CID 123536272) has the molecular formula C65H48N2 and a molecular weight of 857.11 g/mol. Its IUPAC name is 4-[2-[6-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline.

Molecular Properties

• Compound Name: 4-[2-[6-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline
• PubChem CID: 123536272
• Molecular Formula: C65H48N2
• Molecular Weight: 857.11 g/mol
• Exact Mass: 856.38
• IUPAC Name: 4-[2-[6-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline
• SMILES: CC1(C)c2cc(-c3ccc4cc(C=Cc5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4c3)ccc2-c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c3cc21
• InChI: InChI=1S/C65H48N2/c1-65(2)60-42-52(51-35-34-49-40-46(30-33-50(49)41-51)29-28-45-31-37-56(38-32-45)66(53-22-12-5-13-23-53)54-24-14-6-15-25-54)36-39-57(60)58-43-59-62(44-61(58)65)67(55-26-16-7-17-27-55)64(48-20-10-4-11-21-48)63(59)47-18-8-3-9-19-47/h3-44H,1-2H3
• InChIKey: DZJXQIGMXNAOSJ-UHFFFAOYSA-N
• XLogP: 17.73
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.11
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline?

The IUPAC name of 4-[2-[6-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline (CID 123536272) is 4-[2-[6-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline.

What is the SMILES notation for 4-[2-[6-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline?

The canonical SMILES for 4-[2-[6-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline is CC1(C)c2cc(-c3ccc4cc(C=Cc5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4c3)ccc2-c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c3cc21.

What is the InChIKey of 4-[2-[6-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline?

The InChIKey is DZJXQIGMXNAOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48N2/c1-65(2)60-42-52(51-35-34-49-40-46(30-33-50(49)41-51)29-28-45-31-37-56(38-32-45)66(53-22-12-5-13-23-53)54-24-14-6-15-25-54)36-39-57(60)58-43-59-62(44-61(58)65)67(55-26-16-7-17-27-55)64(48-20-10-4-11-21-48)63(59)47-18-8-3-9-19-47/h3-44H,1-2H3.

What are the key properties of 4-[2-[6-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline?

4-[2-[6-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline has a molecular weight of 857.11 g/mol, XLogP of 17.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[6-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 123536272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).