N-(4-bromophenyl)-4-dibenzofuran-4-yl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline;ethane

C38H34BrNO — CID 142363351

About N-(4-bromophenyl)-4-dibenzofuran-4-yl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline;ethane

N-(4-bromophenyl)-4-dibenzofuran-4-yl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline;ethane (PubChem CID 142363351) has the molecular formula C38H34BrNO and a molecular weight of 600.60 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-dibenzofuran-4-yl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline;ethane.

Molecular Properties

• Compound Name: N-(4-bromophenyl)-4-dibenzofuran-4-yl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline;ethane
• PubChem CID: 142363351
• Molecular Formula: C38H34BrNO
• Molecular Weight: 600.60 g/mol
• Exact Mass: 599.18
• IUPAC Name: N-(4-bromophenyl)-4-dibenzofuran-4-yl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline;ethane
• SMILES: C/C=C\C(=C/C)c1ccc(N(c2ccc(Br)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.CC
• InChI: InChI=1S/C36H28BrNO.C2H6/c1-3-8-25(4-2)26-13-19-29(20-14-26)38(31-23-17-28(37)18-24-31)30-21-15-27(16-22-30)32-10-7-11-34-33-9-5-6-12-35(33)39-36(32)34;1-2/h3-24H,1-2H3;1-2H3/b8-3-,25-4+
• InChIKey: DDJNNMVEKPQYHG-JYRTWJJUSA-N
• XLogP: 12.49
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.60
LogP ≤ 5	12.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-dibenzofuran-4-yl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline;ethane?

The IUPAC name of N-(4-bromophenyl)-4-dibenzofuran-4-yl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline;ethane (CID 142363351) is N-(4-bromophenyl)-4-dibenzofuran-4-yl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline;ethane.

What is the SMILES notation for N-(4-bromophenyl)-4-dibenzofuran-4-yl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline;ethane?

The canonical SMILES for N-(4-bromophenyl)-4-dibenzofuran-4-yl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline;ethane is C/C=C\C(=C/C)c1ccc(N(c2ccc(Br)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.CC.

What is the InChIKey of N-(4-bromophenyl)-4-dibenzofuran-4-yl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline;ethane?

The InChIKey is DDJNNMVEKPQYHG-JYRTWJJUSA-N. The full InChI is InChI=1S/C36H28BrNO.C2H6/c1-3-8-25(4-2)26-13-19-29(20-14-26)38(31-23-17-28(37)18-24-31)30-21-15-27(16-22-30)32-10-7-11-34-33-9-5-6-12-35(33)39-36(32)34;1-2/h3-24H,1-2H3;1-2H3/b8-3-,25-4+;.

What are the key properties of N-(4-bromophenyl)-4-dibenzofuran-4-yl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline;ethane?

N-(4-bromophenyl)-4-dibenzofuran-4-yl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline;ethane has a molecular weight of 600.60 g/mol, XLogP of 12.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromophenyl)-4-dibenzofuran-4-yl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline;ethane is sourced from PubChem (CID 142363351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).