4-N-[4-[3-[4-(N-[4-(2-methylindol-1-yl)phenyl]anilino)phenyl]-5-naphthalen-2-ylquinoxalin-2-yl]phenyl]-4-N-phenyl-1-N-prop-2-enyl-1-N-(2-prop-2-enylphenyl)benzene-1,4-diamine

C75H58N6 — CID 143543339

About 4-N-[4-[3-[4-(N-[4-(2-methylindol-1-yl)phenyl]anilino)phenyl]-5-naphthalen-2-ylquinoxalin-2-yl]phenyl]-4-N-phenyl-1-N-prop-2-enyl-1-N-(2-prop-2-enylphenyl)benzene-1,4-diamine

4-N-[4-[3-[4-(N-[4-(2-methylindol-1-yl)phenyl]anilino)phenyl]-5-naphthalen-2-ylquinoxalin-2-yl]phenyl]-4-N-phenyl-1-N-prop-2-enyl-1-N-(2-prop-2-enylphenyl)benzene-1,4-diamine (PubChem CID 143543339) has the molecular formula C75H58N6 and a molecular weight of 1043.33 g/mol. Its IUPAC name is 4-N-[4-[3-[4-(N-[4-(2-methylindol-1-yl)phenyl]anilino)phenyl]-5-naphthalen-2-ylquinoxalin-2-yl]phenyl]-4-N-phenyl-1-N-prop-2-enyl-1-N-(2-prop-2-enylphenyl)benzene-1,4-diamine.

Molecular Properties

• Compound Name: 4-N-[4-[3-[4-(N-[4-(2-methylindol-1-yl)phenyl]anilino)phenyl]-5-naphthalen-2-ylquinoxalin-2-yl]phenyl]-4-N-phenyl-1-N-prop-2-enyl-1-N-(2-prop-2-enylphenyl)benzene-1,4-diamine
• PubChem CID: 143543339
• Molecular Formula: C75H58N6
• Molecular Weight: 1043.33 g/mol
• Exact Mass: 1042.47
• IUPAC Name: 4-N-[4-[3-[4-(N-[4-(2-methylindol-1-yl)phenyl]anilino)phenyl]-5-naphthalen-2-ylquinoxalin-2-yl]phenyl]-4-N-phenyl-1-N-prop-2-enyl-1-N-(2-prop-2-enylphenyl)benzene-1,4-diamine
• SMILES: C=CCc1ccccc1N(CC=C)c1ccc(N(c2ccccc2)c2ccc(-c3nc4cccc(-c5ccc6ccccc6c5)c4nc3-c3ccc(N(c4ccccc4)c4ccc(-n5c(C)cc6ccccc65)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C75H58N6/c1-4-19-55-21-14-16-30-71(55)78(50-5-2)61-42-44-67(45-43-61)80(62-24-8-6-9-25-62)65-38-34-56(35-39-65)73-74(77-75-69(28-18-29-70(75)76-73)59-33-32-54-20-12-13-22-58(54)52-59)57-36-40-66(41-37-57)81(63-26-10-7-11-27-63)68-48-46-64(47-49-68)79-53(3)51-60-23-15-17-31-72(60)79/h4-18,20-49,51-52H,1-2,19,50H2,3H3
• InChIKey: FBOHMVSHBYYUDA-UHFFFAOYSA-N
• XLogP: 20.03
• TPSA: 40.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1043.33
LogP ≤ 5	20.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[3-[4-(N-[4-(2-methylindol-1-yl)phenyl]anilino)phenyl]-5-naphthalen-2-ylquinoxalin-2-yl]phenyl]-4-N-phenyl-1-N-prop-2-enyl-1-N-(2-prop-2-enylphenyl)benzene-1,4-diamine?

The IUPAC name of 4-N-[4-[3-[4-(N-[4-(2-methylindol-1-yl)phenyl]anilino)phenyl]-5-naphthalen-2-ylquinoxalin-2-yl]phenyl]-4-N-phenyl-1-N-prop-2-enyl-1-N-(2-prop-2-enylphenyl)benzene-1,4-diamine (CID 143543339) is 4-N-[4-[3-[4-(N-[4-(2-methylindol-1-yl)phenyl]anilino)phenyl]-5-naphthalen-2-ylquinoxalin-2-yl]phenyl]-4-N-phenyl-1-N-prop-2-enyl-1-N-(2-prop-2-enylphenyl)benzene-1,4-diamine.

What is the SMILES notation for 4-N-[4-[3-[4-(N-[4-(2-methylindol-1-yl)phenyl]anilino)phenyl]-5-naphthalen-2-ylquinoxalin-2-yl]phenyl]-4-N-phenyl-1-N-prop-2-enyl-1-N-(2-prop-2-enylphenyl)benzene-1,4-diamine?

The canonical SMILES for 4-N-[4-[3-[4-(N-[4-(2-methylindol-1-yl)phenyl]anilino)phenyl]-5-naphthalen-2-ylquinoxalin-2-yl]phenyl]-4-N-phenyl-1-N-prop-2-enyl-1-N-(2-prop-2-enylphenyl)benzene-1,4-diamine is C=CCc1ccccc1N(CC=C)c1ccc(N(c2ccccc2)c2ccc(-c3nc4cccc(-c5ccc6ccccc6c5)c4nc3-c3ccc(N(c4ccccc4)c4ccc(-n5c(C)cc6ccccc65)cc4)cc3)cc2)cc1.

What is the InChIKey of 4-N-[4-[3-[4-(N-[4-(2-methylindol-1-yl)phenyl]anilino)phenyl]-5-naphthalen-2-ylquinoxalin-2-yl]phenyl]-4-N-phenyl-1-N-prop-2-enyl-1-N-(2-prop-2-enylphenyl)benzene-1,4-diamine?

The InChIKey is FBOHMVSHBYYUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H58N6/c1-4-19-55-21-14-16-30-71(55)78(50-5-2)61-42-44-67(45-43-61)80(62-24-8-6-9-25-62)65-38-34-56(35-39-65)73-74(77-75-69(28-18-29-70(75)76-73)59-33-32-54-20-12-13-22-58(54)52-59)57-36-40-66(41-37-57)81(63-26-10-7-11-27-63)68-48-46-64(47-49-68)79-53(3)51-60-23-15-17-31-72(60)79/h4-18,20-49,51-52H,1-2,19,50H2,3H3.

What are the key properties of 4-N-[4-[3-[4-(N-[4-(2-methylindol-1-yl)phenyl]anilino)phenyl]-5-naphthalen-2-ylquinoxalin-2-yl]phenyl]-4-N-phenyl-1-N-prop-2-enyl-1-N-(2-prop-2-enylphenyl)benzene-1,4-diamine?

4-N-[4-[3-[4-(N-[4-(2-methylindol-1-yl)phenyl]anilino)phenyl]-5-naphthalen-2-ylquinoxalin-2-yl]phenyl]-4-N-phenyl-1-N-prop-2-enyl-1-N-(2-prop-2-enylphenyl)benzene-1,4-diamine has a molecular weight of 1043.33 g/mol, XLogP of 20.03, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[4-[3-[4-(N-[4-(2-methylindol-1-yl)phenyl]anilino)phenyl]-5-naphthalen-2-ylquinoxalin-2-yl]phenyl]-4-N-phenyl-1-N-prop-2-enyl-1-N-(2-prop-2-enylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 143543339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).