N-[4-[2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]cyclohexa-1,3-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine

C54H40N2 — CID 89331361

About N-[4-[2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]cyclohexa-1,3-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine

N-[4-[2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]cyclohexa-1,3-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine (PubChem CID 89331361) has the molecular formula C54H40N2 and a molecular weight of 716.93 g/mol. Its IUPAC name is N-[4-[2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]cyclohexa-1,3-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine.

Molecular Properties

• Compound Name: N-[4-[2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]cyclohexa-1,3-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine
• PubChem CID: 89331361
• Molecular Formula: C54H40N2
• Molecular Weight: 716.93 g/mol
• Exact Mass: 716.32
• IUPAC Name: N-[4-[2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]cyclohexa-1,3-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine
• SMILES: C(=Cc1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)C1=CC=C(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)CC1
• InChI: InChI=1S/C54H40N2/c1-5-13-45-35-51(31-23-41(45)9-1)55(52-32-24-42-10-2-6-14-46(42)36-52)49-27-19-39(20-28-49)17-18-40-21-29-50(30-22-40)56(53-33-25-43-11-3-7-15-47(43)37-53)54-34-26-44-12-4-8-16-48(44)38-54/h1-21,23-29,31-38H,22,30H2
• InChIKey: XZIXIDRZVCKONT-UHFFFAOYSA-N
• XLogP: 15.22
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.93
LogP ≤ 5	15.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]cyclohexa-1,3-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine?

The IUPAC name of N-[4-[2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]cyclohexa-1,3-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine (CID 89331361) is N-[4-[2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]cyclohexa-1,3-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine.

What is the SMILES notation for N-[4-[2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]cyclohexa-1,3-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine?

The canonical SMILES for N-[4-[2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]cyclohexa-1,3-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine is C(=Cc1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)C1=CC=C(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)CC1.

What is the InChIKey of N-[4-[2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]cyclohexa-1,3-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine?

The InChIKey is XZIXIDRZVCKONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2/c1-5-13-45-35-51(31-23-41(45)9-1)55(52-32-24-42-10-2-6-14-46(42)36-52)49-27-19-39(20-28-49)17-18-40-21-29-50(30-22-40)56(53-33-25-43-11-3-7-15-47(43)37-53)54-34-26-44-12-4-8-16-48(44)38-54/h1-21,23-29,31-38H,22,30H2.

What are the key properties of N-[4-[2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]cyclohexa-1,3-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine?

N-[4-[2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]cyclohexa-1,3-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine has a molecular weight of 716.93 g/mol, XLogP of 15.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]cyclohexa-1,3-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine is sourced from PubChem (CID 89331361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).