4-N-[4-[2-[6-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine

C54H48N4 — CID 59923921

About 4-N-[4-[2-[6-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine

4-N-[4-[2-[6-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine (PubChem CID 59923921) has the molecular formula C54H48N4 and a molecular weight of 753.01 g/mol. Its IUPAC name is 4-N-[4-[2-[6-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

• Compound Name: 4-N-[4-[2-[6-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine
• PubChem CID: 59923921
• Molecular Formula: C54H48N4
• Molecular Weight: 753.01 g/mol
• Exact Mass: 752.39
• IUPAC Name: 4-N-[4-[2-[6-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine
• SMILES: CN(C)c1ccc(N(c2ccccc2)c2ccc(C=Cc3ccc4cc(C=Cc5ccc(N(c6ccccc6)c6ccc(N(C)C)cc6)cc5)ccc4c3)cc2)cc1
• InChI: InChI=1S/C54H48N4/c1-55(2)47-31-35-53(36-32-47)57(49-11-7-5-8-12-49)51-27-21-41(22-28-51)15-17-43-19-25-46-40-44(20-26-45(46)39-43)18-16-42-23-29-52(30-24-42)58(50-13-9-6-10-14-50)54-37-33-48(34-38-54)56(3)4/h5-40H,1-4H3
• InChIKey: FGHGHLCQNPADOM-UHFFFAOYSA-N
• XLogP: 14.25
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.01
LogP ≤ 5	14.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[2-[6-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine?

The IUPAC name of 4-N-[4-[2-[6-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine (CID 59923921) is 4-N-[4-[2-[6-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine.

What is the SMILES notation for 4-N-[4-[2-[6-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine?

The canonical SMILES for 4-N-[4-[2-[6-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine is CN(C)c1ccc(N(c2ccccc2)c2ccc(C=Cc3ccc4cc(C=Cc5ccc(N(c6ccccc6)c6ccc(N(C)C)cc6)cc5)ccc4c3)cc2)cc1.

What is the InChIKey of 4-N-[4-[2-[6-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine?

The InChIKey is FGHGHLCQNPADOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48N4/c1-55(2)47-31-35-53(36-32-47)57(49-11-7-5-8-12-49)51-27-21-41(22-28-51)15-17-43-19-25-46-40-44(20-26-45(46)39-43)18-16-42-23-29-52(30-24-42)58(50-13-9-6-10-14-50)54-37-33-48(34-38-54)56(3)4/h5-40H,1-4H3.

What are the key properties of 4-N-[4-[2-[6-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine?

4-N-[4-[2-[6-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine has a molecular weight of 753.01 g/mol, XLogP of 14.25, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[4-[2-[6-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 59923921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).