2-naphthalen-1-yl-N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

C50H37N — CID 170290208

About 2-naphthalen-1-yl-N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

2-naphthalen-1-yl-N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170290208) has the molecular formula C50H37N and a molecular weight of 651.85 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 2-naphthalen-1-yl-N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
• PubChem CID: 170290208
• Molecular Formula: C50H37N
• Molecular Weight: 651.85 g/mol
• Exact Mass: 651.29
• IUPAC Name: 2-naphthalen-1-yl-N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
• SMILES: C1=CC(c2ccccc2)=C(N(c2ccccc2-c2cccc3ccccc23)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)CC1
• InChI: InChI=1S/C50H37N/c1-3-18-37(19-4-1)41-27-9-12-33-47(41)51(48-34-13-10-28-44(48)43-31-15-23-36-22-7-8-26-40(36)43)49-35-14-11-29-45(49)46-32-17-25-39-24-16-30-42(50(39)46)38-20-5-2-6-21-38/h1-11,13-32,34-35H,12,33H2
• InChIKey: RCEUWUSEHYNZOY-UHFFFAOYSA-N
• XLogP: 13.89
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.85
LogP ≤ 5	13.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?

The IUPAC name of 2-naphthalen-1-yl-N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170290208) is 2-naphthalen-1-yl-N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

What is the SMILES notation for 2-naphthalen-1-yl-N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?

The canonical SMILES for 2-naphthalen-1-yl-N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is C1=CC(c2ccccc2)=C(N(c2ccccc2-c2cccc3ccccc23)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)CC1.

What is the InChIKey of 2-naphthalen-1-yl-N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?

The InChIKey is RCEUWUSEHYNZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N/c1-3-18-37(19-4-1)41-27-9-12-33-47(41)51(48-34-13-10-28-44(48)43-31-15-23-36-22-7-8-26-40(36)43)49-35-14-11-29-45(49)46-32-17-25-39-24-16-30-42(50(39)46)38-20-5-2-6-21-38/h1-11,13-32,34-35H,12,33H2.

What are the key properties of 2-naphthalen-1-yl-N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?

2-naphthalen-1-yl-N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 651.85 g/mol, XLogP of 13.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-1-yl-N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170290208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).