N-phenyl-4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]-N-(1,1,2,3-tetramethylinden-5-yl)naphthalen-1-amine

C51H47N — CID 123782148

About N-phenyl-4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]-N-(1,1,2,3-tetramethylinden-5-yl)naphthalen-1-amine

N-phenyl-4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]-N-(1,1,2,3-tetramethylinden-5-yl)naphthalen-1-amine (PubChem CID 123782148) has the molecular formula C51H47N and a molecular weight of 673.94 g/mol. Its IUPAC name is N-phenyl-4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]-N-(1,1,2,3-tetramethylinden-5-yl)naphthalen-1-amine.

Molecular Properties

• Compound Name: N-phenyl-4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]-N-(1,1,2,3-tetramethylinden-5-yl)naphthalen-1-amine
• PubChem CID: 123782148
• Molecular Formula: C51H47N
• Molecular Weight: 673.94 g/mol
• Exact Mass: 673.37
• IUPAC Name: N-phenyl-4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]-N-(1,1,2,3-tetramethylinden-5-yl)naphthalen-1-amine
• SMILES: CC1=C(C)C(C)(C)c2ccc(N(c3ccccc3)c3ccc(C=Cc4ccc5c(c4)C(C)(C)C4=C5C(C)(C)c5ccccc54)c4ccccc34)cc21
• InChI: InChI=1S/C51H47N/c1-32-33(2)49(3,4)44-28-26-37(31-42(32)44)52(36-16-10-9-11-17-36)46-29-25-35(38-18-12-13-19-39(38)46)24-22-34-23-27-41-45(30-34)51(7,8)47-40-20-14-15-21-43(40)50(5,6)48(41)47/h9-31H,1-8H3
• InChIKey: MQZJNXHUUJURCC-UHFFFAOYSA-N
• XLogP: 14.06
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.94
LogP ≤ 5	14.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]-N-(1,1,2,3-tetramethylinden-5-yl)naphthalen-1-amine?

The IUPAC name of N-phenyl-4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]-N-(1,1,2,3-tetramethylinden-5-yl)naphthalen-1-amine (CID 123782148) is N-phenyl-4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]-N-(1,1,2,3-tetramethylinden-5-yl)naphthalen-1-amine.

What is the SMILES notation for N-phenyl-4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]-N-(1,1,2,3-tetramethylinden-5-yl)naphthalen-1-amine?

The canonical SMILES for N-phenyl-4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]-N-(1,1,2,3-tetramethylinden-5-yl)naphthalen-1-amine is CC1=C(C)C(C)(C)c2ccc(N(c3ccccc3)c3ccc(C=Cc4ccc5c(c4)C(C)(C)C4=C5C(C)(C)c5ccccc54)c4ccccc34)cc21.

What is the InChIKey of N-phenyl-4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]-N-(1,1,2,3-tetramethylinden-5-yl)naphthalen-1-amine?

The InChIKey is MQZJNXHUUJURCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H47N/c1-32-33(2)49(3,4)44-28-26-37(31-42(32)44)52(36-16-10-9-11-17-36)46-29-25-35(38-18-12-13-19-39(38)46)24-22-34-23-27-41-45(30-34)51(7,8)47-40-20-14-15-21-43(40)50(5,6)48(41)47/h9-31H,1-8H3.

What are the key properties of N-phenyl-4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]-N-(1,1,2,3-tetramethylinden-5-yl)naphthalen-1-amine?

N-phenyl-4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]-N-(1,1,2,3-tetramethylinden-5-yl)naphthalen-1-amine has a molecular weight of 673.94 g/mol, XLogP of 14.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]-N-(1,1,2,3-tetramethylinden-5-yl)naphthalen-1-amine is sourced from PubChem (CID 123782148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).