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

C46H29NO2 — CID 177287348

IUPACN-dibenzofuran-3-yl-N-[2,3,5,6-tetradeuterio-4-[1,3,4,5,6,8-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c([2H])c([2H])c(-c4c([2H])c([2H])c(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)c([2H])c4[2H])c([2H])c3c2[2H])c([2H])c1[2H]
InChIInChI=1S/C46H29NO2/c1-2-8-30(9-3-1)33-16-14-32-15-17-34(27-35(32)26-33)31-18-20-36(21-19-31)47(37-22-24-41-39-10-4-6-12-43(39)48-45(41)28-37)38-23-25-42-40-11-5-7-13-44(40)49-46(42)29-38/h1-29H/i1D,2D,3D,8D,9D,14D,15D,16D,17D,18D,19D,20D,21D,26D,27D
InChIKeyLMBQEWNQKNQVPE-GUTPGDDWSA-N
MW642.83 g/mol
LogP13.44
Rot. Bonds5

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

N-dibenzofuran-3-yl-N-[2,3,5,6-tetradeuterio-4-[1,3,4,5,6,8-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine (PubChem CID 177287348) has the molecular formula C46H29NO2 and a molecular weight of 642.83 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[2,3,5,6-tetradeuterio-4-[1,3,4,5,6,8-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[2,3,5,6-tetradeuterio-4-[1,3,4,5,6,8-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine
PubChem CID177287348
Molecular FormulaC46H29NO2
Molecular Weight642.83 g/mol
Exact Mass642.31
IUPAC NameN-dibenzofuran-3-yl-N-[2,3,5,6-tetradeuterio-4-[1,3,4,5,6,8-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c([2H])c([2H])c(-c4c([2H])c([2H])c(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)c([2H])c4[2H])c([2H])c3c2[2H])c([2H])c1[2H]
InChIInChI=1S/C46H29NO2/c1-2-8-30(9-3-1)33-16-14-32-15-17-34(27-35(32)26-33)31-18-20-36(21-19-31)47(37-22-24-41-39-10-4-6-12-43(39)48-45(41)28-37)38-23-25-42-40-11-5-7-13-44(40)49-46(42)29-38/h1-29H/i1D,2D,3D,8D,9D,14D,15D,16D,17D,18D,19D,20D,21D,26D,27D
InChIKeyLMBQEWNQKNQVPE-GUTPGDDWSA-N
XLogP13.44
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.83
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-dibenzofuran-3-yl-N-[2,3,5,6-tetradeuterio-4-[1,4,5,6,7,8-hexadeuterio-3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine
CID 177287271
7-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-N,N-diphenyldibenzofuran-3-amine
CID 177287427
N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)dibenzofuran-3-amine
CID 171452943
6-phenyl-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine
CID 177287422
2,3,5,6-tetradeuterio-N,N-bis(4-dibenzofuran-3-ylphenyl)-4-phenylaniline
CID 171450972
2,3,5,6-tetradeuterio-4-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)aniline
CID 171451950
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)aniline
CID 171452184
N-(4-dibenzofuran-3-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 171737779
N-naphthalen-1-yl-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-3-amine
CID 177287250
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 176854016
3-[10-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 170662980
2,4,6,7,8,9-hexadeuterio-N-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine
CID 171596962

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[2,3,5,6-tetradeuterio-4-[1,3,4,5,6,8-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-[2,3,5,6-tetradeuterio-4-[1,3,4,5,6,8-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine (CID 177287348) is N-dibenzofuran-3-yl-N-[2,3,5,6-tetradeuterio-4-[1,3,4,5,6,8-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[2,3,5,6-tetradeuterio-4-[1,3,4,5,6,8-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-[2,3,5,6-tetradeuterio-4-[1,3,4,5,6,8-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c([2H])c([2H])c(-c4c([2H])c([2H])c(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)c([2H])c4[2H])c([2H])c3c2[2H])c([2H])c1[2H].
What is the InChIKey of N-dibenzofuran-3-yl-N-[2,3,5,6-tetradeuterio-4-[1,3,4,5,6,8-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine?
The InChIKey is LMBQEWNQKNQVPE-GUTPGDDWSA-N. The full InChI is InChI=1S/C46H29NO2/c1-2-8-30(9-3-1)33-16-14-32-15-17-34(27-35(32)26-33)31-18-20-36(21-19-31)47(37-22-24-41-39-10-4-6-12-43(39)48-45(41)28-37)38-23-25-42-40-11-5-7-13-44(40)49-46(42)29-38/h1-29H/i1D,2D,3D,8D,9D,14D,15D,16D,17D,18D,19D,20D,21D,26D,27D.
What are the key properties of N-dibenzofuran-3-yl-N-[2,3,5,6-tetradeuterio-4-[1,3,4,5,6,8-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine?
N-dibenzofuran-3-yl-N-[2,3,5,6-tetradeuterio-4-[1,3,4,5,6,8-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine has a molecular weight of 642.83 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-[2,3,5,6-tetradeuterio-4-[1,3,4,5,6,8-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 177287348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).