N-[4-[2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine

C74H52N2 — CID 123939111

About N-[4-[2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine

N-[4-[2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 123939111) has the molecular formula C74H52N2 and a molecular weight of 969.24 g/mol. Its IUPAC name is N-[4-[2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: N-[4-[2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 123939111
• Molecular Formula: C74H52N2
• Molecular Weight: 969.24 g/mol
• Exact Mass: 968.41
• IUPAC Name: N-[4-[2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
• SMILES: CC1(C)c2cc(C=Cc3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)ccc2-c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c3cc21
• InChI: InChI=1S/C74H52N2/c1-73(2)67-45-50(39-43-61(67)62-47-63-70(48-68(62)73)76(54-27-13-6-14-28-54)72(52-23-9-4-10-24-52)71(63)51-21-7-3-8-22-51)36-35-49-37-40-55(41-38-49)75(53-25-11-5-12-26-53)56-42-44-60-59-31-17-20-34-66(59)74(69(60)46-56)64-32-18-15-29-57(64)58-30-16-19-33-65(58)74/h3-48H,1-2H3
• InChIKey: PHLOOPKFNZXRDY-UHFFFAOYSA-N
• XLogP: 19.25
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.24
LogP ≤ 5	19.25
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 N-[4-[2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of N-[4-[2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine (CID 123939111) is N-[4-[2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for N-[4-[2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for N-[4-[2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine is CC1(C)c2cc(C=Cc3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)ccc2-c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c3cc21.

What is the InChIKey of N-[4-[2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is PHLOOPKFNZXRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H52N2/c1-73(2)67-45-50(39-43-61(67)62-47-63-70(48-68(62)73)76(54-27-13-6-14-28-54)72(52-23-9-4-10-24-52)71(63)51-21-7-3-8-22-51)36-35-49-37-40-55(41-38-49)75(53-25-11-5-12-26-53)56-42-44-60-59-31-17-20-34-66(59)74(69(60)46-56)64-32-18-15-29-57(64)58-30-16-19-33-65(58)74/h3-48H,1-2H3.

What are the key properties of N-[4-[2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine?

N-[4-[2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 969.24 g/mol, XLogP of 19.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 123939111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).