N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

C52H33NO2 — CID 171737306

IUPACN-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(N(c2c([2H])c([2H])c(-c3cccc4oc5ccccc5c34)c([2H])c2[2H])c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C52H33NO2/c1-2-10-34(11-3-1)35-20-22-36(23-21-35)37-24-29-40(30-25-37)53(46-16-9-19-49-51(46)45-33-28-38-12-4-5-13-43(38)52(45)55-49)41-31-26-39(27-32-41)42-15-8-18-48-50(42)44-14-6-7-17-47(44)54-48/h1-33H/i24D,25D,26D,27D,29D,30D,31D,32D
InChIKeyKTDYSVXDNYQAJL-TVWALIPGSA-N
MW711.89 g/mol
LogP15.11
Rot. Bonds6

About N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171737306) has the molecular formula C52H33NO2 and a molecular weight of 711.89 g/mol. Its IUPAC name is N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171737306
Molecular FormulaC52H33NO2
Molecular Weight711.89 g/mol
Exact Mass711.30
IUPAC NameN-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(N(c2c([2H])c([2H])c(-c3cccc4oc5ccccc5c34)c([2H])c2[2H])c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C52H33NO2/c1-2-10-34(11-3-1)35-20-22-36(23-21-35)37-24-29-40(30-25-37)53(46-16-9-19-49-51(46)45-33-28-38-12-4-5-13-43(38)52(45)55-49)41-31-26-39(27-32-41)42-15-8-18-48-50(42)44-14-6-7-17-47(44)54-48/h1-33H/i24D,25D,26D,27D,29D,30D,31D,32D
InChIKeyKTDYSVXDNYQAJL-TVWALIPGSA-N
XLogP15.11
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.89
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739665
N-(4-dibenzofuran-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738542
N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737639
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163945137
N-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738966
N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737613
2,3,5,6-tetradeuterio-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)-4-(4-phenylphenyl)aniline
CID 167331120
N-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739606
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737296
2,3,5,6-tetradeuterio-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-phenanthren-2-yl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 167330307
N-(4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738531
N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737811

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171737306) is N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is [2H]c1c([2H])c(N(c2c([2H])c([2H])c(-c3cccc4oc5ccccc5c34)c([2H])c2[2H])c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is KTDYSVXDNYQAJL-TVWALIPGSA-N. The full InChI is InChI=1S/C52H33NO2/c1-2-10-34(11-3-1)35-20-22-36(23-21-35)37-24-29-40(30-25-37)53(46-16-9-19-49-51(46)45-33-28-38-12-4-5-13-43(38)52(45)55-49)41-31-26-39(27-32-41)42-15-8-18-48-50(42)44-14-6-7-17-47(44)54-48/h1-33H/i24D,25D,26D,27D,29D,30D,31D,32D.
What are the key properties of N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 711.89 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171737306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).