N-(3,4-diphenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-2-amine

C52H35NO — CID 177287438

About N-(3,4-diphenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-2-amine

N-(3,4-diphenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-2-amine (PubChem CID 177287438) has the molecular formula C52H35NO and a molecular weight of 704.95 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-2-amine.

Molecular Properties

• Compound Name: N-(3,4-diphenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-2-amine
• PubChem CID: 177287438
• Molecular Formula: C52H35NO
• Molecular Weight: 704.95 g/mol
• Exact Mass: 704.37
• IUPAC Name: N-(3,4-diphenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-2-amine
• SMILES: [2H]c1c([2H])c([2H])c(-c2c(-c3c([2H])c([2H])c(N(c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c4ccc5oc6ccccc6c5c4)c([2H])c3[2H])c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H]
• InChI: InChI=1S/C52H35NO/c1-4-14-36(15-5-1)44-32-29-42(34-48(44)37-16-6-2-7-17-37)53(43-30-33-51-49(35-43)47-22-12-13-23-50(47)54-51)41-27-24-39(25-28-41)46-31-26-38-18-10-11-21-45(38)52(46)40-19-8-3-9-20-40/h1-35H/i3D,8D,9D,10D,11D,18D,19D,20D,21D,24D,25D,26D,27D,28D,31D
• InChIKey: OQSRZYNZAHEXPD-ODOXNTLISA-N
• XLogP: 14.88
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.95
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-2-amine?

The IUPAC name of N-(3,4-diphenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-2-amine (CID 177287438) is N-(3,4-diphenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-2-amine.

What is the SMILES notation for N-(3,4-diphenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-2-amine?

The canonical SMILES for N-(3,4-diphenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-2-amine is [2H]c1c([2H])c([2H])c(-c2c(-c3c([2H])c([2H])c(N(c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c4ccc5oc6ccccc6c5c4)c([2H])c3[2H])c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].

What is the InChIKey of N-(3,4-diphenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-2-amine?

The InChIKey is OQSRZYNZAHEXPD-ODOXNTLISA-N. The full InChI is InChI=1S/C52H35NO/c1-4-14-36(15-5-1)44-32-29-42(34-48(44)37-16-6-2-7-17-37)53(43-30-33-51-49(35-43)47-22-12-13-23-50(47)54-51)41-27-24-39(25-28-41)46-31-26-38-18-10-11-21-45(38)52(46)40-19-8-3-9-20-40/h1-35H/i3D,8D,9D,10D,11D,18D,19D,20D,21D,24D,25D,26D,27D,28D,31D.

What are the key properties of N-(3,4-diphenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-2-amine?

N-(3,4-diphenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-2-amine has a molecular weight of 704.95 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-diphenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[3,4,5,6,7,8-hexadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 177287438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).