N-phenyl-N-[(5E)-5-[2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-(1,1,3-trimethylcyclopenta[a]naphthalen-2-yl)ethenyl]cyclopenten-1-yl]aniline

C52H48N2 — CID 59958554

About N-phenyl-N-[(5E)-5-[2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-(1,1,3-trimethylcyclopenta[a]naphthalen-2-yl)ethenyl]cyclopenten-1-yl]aniline

N-phenyl-N-[(5E)-5-[2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-(1,1,3-trimethylcyclopenta[a]naphthalen-2-yl)ethenyl]cyclopenten-1-yl]aniline (PubChem CID 59958554) has the molecular formula C52H48N2 and a molecular weight of 700.97 g/mol. Its IUPAC name is N-phenyl-N-[(5E)-5-[2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-(1,1,3-trimethylcyclopenta[a]naphthalen-2-yl)ethenyl]cyclopenten-1-yl]aniline.

Molecular Properties

• Compound Name: N-phenyl-N-[(5E)-5-[2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-(1,1,3-trimethylcyclopenta[a]naphthalen-2-yl)ethenyl]cyclopenten-1-yl]aniline
• PubChem CID: 59958554
• Molecular Formula: C52H48N2
• Molecular Weight: 700.97 g/mol
• Exact Mass: 700.38
• IUPAC Name: N-phenyl-N-[(5E)-5-[2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-(1,1,3-trimethylcyclopenta[a]naphthalen-2-yl)ethenyl]cyclopenten-1-yl]aniline
• SMILES: CC1=C(C=CC2=C(N(c3ccccc3)c3ccccc3)/C(=C/C=C3N(C)c4ccc5ccccc5c4C3(C)C)CC2)C(C)(C)c2c1ccc1ccccc21
• InChI: InChI=1S/C52H48N2/c1-35-42-31-27-36-17-13-15-23-43(36)48(42)51(2,3)45(35)32-28-38-25-26-39(50(38)54(40-19-9-7-10-20-40)41-21-11-8-12-22-41)30-34-47-52(4,5)49-44-24-16-14-18-37(44)29-33-46(49)53(47)6/h7-24,27-34H,25-26H2,1-6H3/b32-28?,39-30+,47-34?
• InChIKey: YLSGZFTWMRIRHJ-YTWMVDICSA-N
• XLogP: 13.74
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.97
LogP ≤ 5	13.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[(5E)-5-[2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-(1,1,3-trimethylcyclopenta[a]naphthalen-2-yl)ethenyl]cyclopenten-1-yl]aniline?

The IUPAC name of N-phenyl-N-[(5E)-5-[2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-(1,1,3-trimethylcyclopenta[a]naphthalen-2-yl)ethenyl]cyclopenten-1-yl]aniline (CID 59958554) is N-phenyl-N-[(5E)-5-[2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-(1,1,3-trimethylcyclopenta[a]naphthalen-2-yl)ethenyl]cyclopenten-1-yl]aniline.

What is the SMILES notation for N-phenyl-N-[(5E)-5-[2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-(1,1,3-trimethylcyclopenta[a]naphthalen-2-yl)ethenyl]cyclopenten-1-yl]aniline?

The canonical SMILES for N-phenyl-N-[(5E)-5-[2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-(1,1,3-trimethylcyclopenta[a]naphthalen-2-yl)ethenyl]cyclopenten-1-yl]aniline is CC1=C(C=CC2=C(N(c3ccccc3)c3ccccc3)/C(=C/C=C3N(C)c4ccc5ccccc5c4C3(C)C)CC2)C(C)(C)c2c1ccc1ccccc21.

What is the InChIKey of N-phenyl-N-[(5E)-5-[2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-(1,1,3-trimethylcyclopenta[a]naphthalen-2-yl)ethenyl]cyclopenten-1-yl]aniline?

The InChIKey is YLSGZFTWMRIRHJ-YTWMVDICSA-N. The full InChI is InChI=1S/C52H48N2/c1-35-42-31-27-36-17-13-15-23-43(36)48(42)51(2,3)45(35)32-28-38-25-26-39(50(38)54(40-19-9-7-10-20-40)41-21-11-8-12-22-41)30-34-47-52(4,5)49-44-24-16-14-18-37(44)29-33-46(49)53(47)6/h7-24,27-34H,25-26H2,1-6H3/b32-28?,39-30+,47-34?.

What are the key properties of N-phenyl-N-[(5E)-5-[2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-(1,1,3-trimethylcyclopenta[a]naphthalen-2-yl)ethenyl]cyclopenten-1-yl]aniline?

N-phenyl-N-[(5E)-5-[2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-(1,1,3-trimethylcyclopenta[a]naphthalen-2-yl)ethenyl]cyclopenten-1-yl]aniline has a molecular weight of 700.97 g/mol, XLogP of 13.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-[(5E)-5-[2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-(1,1,3-trimethylcyclopenta[a]naphthalen-2-yl)ethenyl]cyclopenten-1-yl]aniline is sourced from PubChem (CID 59958554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).