N-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphthalen-1-amine

C46H29NO2 — CID 170676895

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
SMILES[2H]c1c([2H])c(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2cccc3ccccc23)c([2H])c([2H])c1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C46H29NO2/c1-2-11-36-31(9-1)10-7-16-42(36)47(34-24-19-30(20-25-34)33-23-28-40-38-12-3-5-17-43(38)48-45(40)29-33)35-26-21-32(22-27-35)37-14-8-15-41-39-13-4-6-18-44(39)49-46(37)41/h1-29H/i21D,22D,26D,27D
InChIKeyYHMGQUZPSMVFIU-HKNGJTNOSA-N
MW631.77 g/mol
LogP13.44
Rot. Bonds5

About N-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphthalen-1-amine

N-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphthalen-1-amine (PubChem CID 170676895) has the molecular formula C46H29NO2 and a molecular weight of 631.77 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
PubChem CID170676895
Molecular FormulaC46H29NO2
Molecular Weight631.77 g/mol
Exact Mass631.24
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
SMILES[2H]c1c([2H])c(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2cccc3ccccc23)c([2H])c([2H])c1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C46H29NO2/c1-2-11-36-31(9-1)10-7-16-42(36)47(34-24-19-30(20-25-34)33-23-28-40-38-12-3-5-17-43(38)48-45(40)29-33)35-26-21-32(22-27-35)37-14-8-15-41-39-13-4-6-18-44(39)49-46(37)41/h1-29H/i21D,22D,26D,27D
InChIKeyYHMGQUZPSMVFIU-HKNGJTNOSA-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 ≤ 500631.77
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738966
N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 170676838
2,3,5,6-tetradeuterio-N-(2-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 171452589
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-4-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
CID 171452595
N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738814
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
CID 171451664
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenylaniline
CID 158645308
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170300451
4-[4-[4-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157429192
4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 162213494

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphthalen-1-amine (CID 170676895) is N-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphthalen-1-amine is [2H]c1c([2H])c(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2cccc3ccccc23)c([2H])c([2H])c1-c1cccc2c1oc1ccccc12.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphthalen-1-amine?
The InChIKey is YHMGQUZPSMVFIU-HKNGJTNOSA-N. The full InChI is InChI=1S/C46H29NO2/c1-2-11-36-31(9-1)10-7-16-42(36)47(34-24-19-30(20-25-34)33-23-28-40-38-12-3-5-17-43(38)48-45(40)29-33)35-26-21-32(22-27-35)37-14-8-15-41-39-13-4-6-18-44(39)49-46(37)41/h1-29H/i21D,22D,26D,27D.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphthalen-1-amine?
N-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphthalen-1-amine has a molecular weight of 631.77 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-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 170676895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).