N-(2-dibenzofuran-2-ylphenyl)-N-[4-[4-[N,2-di(dibenzofuran-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]dibenzofuran-2-amine

C74H48N2O4 — CID 121323324

About N-(2-dibenzofuran-2-ylphenyl)-N-[4-[4-[N,2-di(dibenzofuran-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]dibenzofuran-2-amine

N-(2-dibenzofuran-2-ylphenyl)-N-[4-[4-[N,2-di(dibenzofuran-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]dibenzofuran-2-amine (PubChem CID 121323324) has the molecular formula C74H48N2O4 and a molecular weight of 1029.21 g/mol. Its IUPAC name is N-(2-dibenzofuran-2-ylphenyl)-N-[4-[4-[N,2-di(dibenzofuran-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]dibenzofuran-2-amine.

Molecular Properties

• Compound Name: N-(2-dibenzofuran-2-ylphenyl)-N-[4-[4-[N,2-di(dibenzofuran-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]dibenzofuran-2-amine
• PubChem CID: 121323324
• Molecular Formula: C74H48N2O4
• Molecular Weight: 1029.21 g/mol
• Exact Mass: 1028.36
• IUPAC Name: N-(2-dibenzofuran-2-ylphenyl)-N-[4-[4-[N,2-di(dibenzofuran-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]dibenzofuran-2-amine
• SMILES: Cc1cc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3ccc4oc5ccccc5c4c3)c(C)c2)ccc1N(c1ccc2oc3ccccc3c2c1)c1ccccc1-c1ccc2oc3ccccc3c2c1
• InChI: InChI=1S/C74H48N2O4/c1-45-39-47(27-33-63(45)75(51-31-37-73-61(43-51)57-19-7-13-25-69(57)79-73)65-21-9-3-15-53(65)49-29-35-71-59(41-49)55-17-5-11-23-67(55)77-71)48-28-34-64(46(2)40-48)76(52-32-38-74-62(44-52)58-20-8-14-26-70(58)80-74)66-22-10-4-16-54(66)50-30-36-72-60(42-50)56-18-6-12-24-68(56)78-72/h3-44H,1-2H3
• InChIKey: BULFRVLZYOKPCI-UHFFFAOYSA-N
• XLogP: 21.84
• TPSA: 59.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1029.21
LogP ≤ 5	21.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-2-ylphenyl)-N-[4-[4-[N,2-di(dibenzofuran-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]dibenzofuran-2-amine?

The IUPAC name of N-(2-dibenzofuran-2-ylphenyl)-N-[4-[4-[N,2-di(dibenzofuran-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]dibenzofuran-2-amine (CID 121323324) is N-(2-dibenzofuran-2-ylphenyl)-N-[4-[4-[N,2-di(dibenzofuran-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]dibenzofuran-2-amine.

What is the SMILES notation for N-(2-dibenzofuran-2-ylphenyl)-N-[4-[4-[N,2-di(dibenzofuran-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]dibenzofuran-2-amine?

The canonical SMILES for N-(2-dibenzofuran-2-ylphenyl)-N-[4-[4-[N,2-di(dibenzofuran-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]dibenzofuran-2-amine is Cc1cc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3ccc4oc5ccccc5c4c3)c(C)c2)ccc1N(c1ccc2oc3ccccc3c2c1)c1ccccc1-c1ccc2oc3ccccc3c2c1.

What is the InChIKey of N-(2-dibenzofuran-2-ylphenyl)-N-[4-[4-[N,2-di(dibenzofuran-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]dibenzofuran-2-amine?

The InChIKey is BULFRVLZYOKPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N2O4/c1-45-39-47(27-33-63(45)75(51-31-37-73-61(43-51)57-19-7-13-25-69(57)79-73)65-21-9-3-15-53(65)49-29-35-71-59(41-49)55-17-5-11-23-67(55)77-71)48-28-34-64(46(2)40-48)76(52-32-38-74-62(44-52)58-20-8-14-26-70(58)80-74)66-22-10-4-16-54(66)50-30-36-72-60(42-50)56-18-6-12-24-68(56)78-72/h3-44H,1-2H3.

What are the key properties of N-(2-dibenzofuran-2-ylphenyl)-N-[4-[4-[N,2-di(dibenzofuran-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]dibenzofuran-2-amine?

N-(2-dibenzofuran-2-ylphenyl)-N-[4-[4-[N,2-di(dibenzofuran-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]dibenzofuran-2-amine has a molecular weight of 1029.21 g/mol, XLogP of 21.84, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-dibenzofuran-2-ylphenyl)-N-[4-[4-[N,2-di(dibenzofuran-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]dibenzofuran-2-amine is sourced from PubChem (CID 121323324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).