6-ethenyl-N,N-dimethyl-5,8-dinaphthalen-2-yl-7-[(Z)-2-phenylethenyl]naphthalen-2-amine

C42H33N — CID 143825180

About 6-ethenyl-N,N-dimethyl-5,8-dinaphthalen-2-yl-7-[(Z)-2-phenylethenyl]naphthalen-2-amine

6-ethenyl-N,N-dimethyl-5,8-dinaphthalen-2-yl-7-[(Z)-2-phenylethenyl]naphthalen-2-amine (PubChem CID 143825180) has the molecular formula C42H33N and a molecular weight of 551.73 g/mol. Its IUPAC name is 6-ethenyl-N,N-dimethyl-5,8-dinaphthalen-2-yl-7-[(Z)-2-phenylethenyl]naphthalen-2-amine.

Molecular Properties

• Compound Name: 6-ethenyl-N,N-dimethyl-5,8-dinaphthalen-2-yl-7-[(Z)-2-phenylethenyl]naphthalen-2-amine
• PubChem CID: 143825180
• Molecular Formula: C42H33N
• Molecular Weight: 551.73 g/mol
• Exact Mass: 551.26
• IUPAC Name: 6-ethenyl-N,N-dimethyl-5,8-dinaphthalen-2-yl-7-[(Z)-2-phenylethenyl]naphthalen-2-amine
• SMILES: C=Cc1c(/C=C\c2ccccc2)c(-c2ccc3ccccc3c2)c2cc(N(C)C)ccc2c1-c1ccc2ccccc2c1
• InChI: InChI=1S/C42H33N/c1-4-37-38(24-18-29-12-6-5-7-13-29)42(35-22-20-31-15-9-11-17-33(31)27-35)40-28-36(43(2)3)23-25-39(40)41(37)34-21-19-30-14-8-10-16-32(30)26-34/h4-28H,1H2,2-3H3/b24-18-
• InChIKey: BFNFFICAESIUIJ-MOHJPFBDSA-N
• XLogP: 11.36
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.73
LogP ≤ 5	11.36
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 6-ethenyl-N,N-dimethyl-5,8-dinaphthalen-2-yl-7-[(Z)-2-phenylethenyl]naphthalen-2-amine?

The IUPAC name of 6-ethenyl-N,N-dimethyl-5,8-dinaphthalen-2-yl-7-[(Z)-2-phenylethenyl]naphthalen-2-amine (CID 143825180) is 6-ethenyl-N,N-dimethyl-5,8-dinaphthalen-2-yl-7-[(Z)-2-phenylethenyl]naphthalen-2-amine.

What is the SMILES notation for 6-ethenyl-N,N-dimethyl-5,8-dinaphthalen-2-yl-7-[(Z)-2-phenylethenyl]naphthalen-2-amine?

The canonical SMILES for 6-ethenyl-N,N-dimethyl-5,8-dinaphthalen-2-yl-7-[(Z)-2-phenylethenyl]naphthalen-2-amine is C=Cc1c(/C=C\c2ccccc2)c(-c2ccc3ccccc3c2)c2cc(N(C)C)ccc2c1-c1ccc2ccccc2c1.

What is the InChIKey of 6-ethenyl-N,N-dimethyl-5,8-dinaphthalen-2-yl-7-[(Z)-2-phenylethenyl]naphthalen-2-amine?

The InChIKey is BFNFFICAESIUIJ-MOHJPFBDSA-N. The full InChI is InChI=1S/C42H33N/c1-4-37-38(24-18-29-12-6-5-7-13-29)42(35-22-20-31-15-9-11-17-33(31)27-35)40-28-36(43(2)3)23-25-39(40)41(37)34-21-19-30-14-8-10-16-32(30)26-34/h4-28H,1H2,2-3H3/b24-18-.

What are the key properties of 6-ethenyl-N,N-dimethyl-5,8-dinaphthalen-2-yl-7-[(Z)-2-phenylethenyl]naphthalen-2-amine?

6-ethenyl-N,N-dimethyl-5,8-dinaphthalen-2-yl-7-[(Z)-2-phenylethenyl]naphthalen-2-amine has a molecular weight of 551.73 g/mol, XLogP of 11.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethenyl-N,N-dimethyl-5,8-dinaphthalen-2-yl-7-[(Z)-2-phenylethenyl]naphthalen-2-amine is sourced from PubChem (CID 143825180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).