N-phenyl-N-[2-[2-(3,3,5-trimethylindol-2-yl)ethenyl]-5-[2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]aniline

C43H43N3 — CID 59729872

About N-phenyl-N-[2-[2-(3,3,5-trimethylindol-2-yl)ethenyl]-5-[2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]aniline

N-phenyl-N-[2-[2-(3,3,5-trimethylindol-2-yl)ethenyl]-5-[2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]aniline (PubChem CID 59729872) has the molecular formula C43H43N3 and a molecular weight of 601.84 g/mol. Its IUPAC name is N-phenyl-N-[2-[2-(3,3,5-trimethylindol-2-yl)ethenyl]-5-[2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]aniline.

Molecular Properties

• Compound Name: N-phenyl-N-[2-[2-(3,3,5-trimethylindol-2-yl)ethenyl]-5-[2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]aniline
• PubChem CID: 59729872
• Molecular Formula: C43H43N3
• Molecular Weight: 601.84 g/mol
• Exact Mass: 601.35
• IUPAC Name: N-phenyl-N-[2-[2-(3,3,5-trimethylindol-2-yl)ethenyl]-5-[2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]aniline
• SMILES: Cc1ccc2c(c1)C(C)(C)C(C=CC1=C(N(c3ccccc3)c3ccccc3)C(=CC=C3Nc4ccc(C)cc4C3(C)C)CC1)=N2
• InChI: InChI=1S/C43H43N3/c1-29-17-23-37-35(27-29)42(3,4)39(44-37)25-21-31-19-20-32(22-26-40-43(5,6)36-28-30(2)18-24-38(36)45-40)41(31)46(33-13-9-7-10-14-33)34-15-11-8-12-16-34/h7-18,21-28,44H,19-20H2,1-6H3
• InChIKey: OQJUHFZKTMBOFV-UHFFFAOYSA-N
• XLogP: 11.32
• TPSA: 27.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.84
LogP ≤ 5	11.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[2-[2-(3,3,5-trimethylindol-2-yl)ethenyl]-5-[2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]aniline?

The IUPAC name of N-phenyl-N-[2-[2-(3,3,5-trimethylindol-2-yl)ethenyl]-5-[2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]aniline (CID 59729872) is N-phenyl-N-[2-[2-(3,3,5-trimethylindol-2-yl)ethenyl]-5-[2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]aniline.

What is the SMILES notation for N-phenyl-N-[2-[2-(3,3,5-trimethylindol-2-yl)ethenyl]-5-[2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]aniline?

The canonical SMILES for N-phenyl-N-[2-[2-(3,3,5-trimethylindol-2-yl)ethenyl]-5-[2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]aniline is Cc1ccc2c(c1)C(C)(C)C(C=CC1=C(N(c3ccccc3)c3ccccc3)C(=CC=C3Nc4ccc(C)cc4C3(C)C)CC1)=N2.

What is the InChIKey of N-phenyl-N-[2-[2-(3,3,5-trimethylindol-2-yl)ethenyl]-5-[2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]aniline?

The InChIKey is OQJUHFZKTMBOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43N3/c1-29-17-23-37-35(27-29)42(3,4)39(44-37)25-21-31-19-20-32(22-26-40-43(5,6)36-28-30(2)18-24-38(36)45-40)41(31)46(33-13-9-7-10-14-33)34-15-11-8-12-16-34/h7-18,21-28,44H,19-20H2,1-6H3.

What are the key properties of N-phenyl-N-[2-[2-(3,3,5-trimethylindol-2-yl)ethenyl]-5-[2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]aniline?

N-phenyl-N-[2-[2-(3,3,5-trimethylindol-2-yl)ethenyl]-5-[2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]aniline has a molecular weight of 601.84 g/mol, XLogP of 11.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-[2-[2-(3,3,5-trimethylindol-2-yl)ethenyl]-5-[2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]aniline is sourced from PubChem (CID 59729872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).