6-deuterio-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine

C46H29NO2 — CID 170541951

IUPAC6-deuterio-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
SMILES[2H]c1cccc2c1oc1c(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cccc12
InChIInChI=1S/C46H29NO2/c1-2-12-35-30(10-1)11-7-15-36(35)31-22-26-33(27-23-31)47(41-18-8-17-39-38-13-3-5-19-42(38)49-46(39)41)34-28-24-32(25-29-34)37-16-9-21-44-45(37)40-14-4-6-20-43(40)48-44/h1-29H/i19D
InChIKeyYFUPLTMUCOVMIL-YUIGOLOMSA-N
MW628.75 g/mol
LogP13.44
Rot. Bonds5

About 6-deuterio-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine

6-deuterio-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine (PubChem CID 170541951) has the molecular formula C46H29NO2 and a molecular weight of 628.75 g/mol. Its IUPAC name is 6-deuterio-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name6-deuterio-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
PubChem CID170541951
Molecular FormulaC46H29NO2
Molecular Weight628.75 g/mol
Exact Mass628.23
IUPAC Name6-deuterio-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
SMILES[2H]c1cccc2c1oc1c(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cccc12
InChIInChI=1S/C46H29NO2/c1-2-12-35-30(10-1)11-7-15-36(35)31-22-26-33(27-23-31)47(41-18-8-17-39-38-13-3-5-19-42(38)49-46(39)41)34-28-24-32(25-29-34)37-16-9-21-44-45(37)40-14-4-6-20-43(40)48-44/h1-29H/i19D
InChIKeyYFUPLTMUCOVMIL-YUIGOLOMSA-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 ≤ 500628.75
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804014
N-(4-dibenzofuran-1-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 170541911
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)-2-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 155374408
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-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804017
N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155186869
2-dibenzofuran-3-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324538
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170535179
N-dibenzofuran-4-yl-N-(4-dibenzofuran-1-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397006
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 170676836
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739351

Frequently Asked Questions

What is the IUPAC name of 6-deuterio-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
The IUPAC name of 6-deuterio-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine (CID 170541951) is 6-deuterio-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 6-deuterio-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 6-deuterio-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine is [2H]c1cccc2c1oc1c(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cccc12.
What is the InChIKey of 6-deuterio-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
The InChIKey is YFUPLTMUCOVMIL-YUIGOLOMSA-N. The full InChI is InChI=1S/C46H29NO2/c1-2-12-35-30(10-1)11-7-15-36(35)31-22-26-33(27-23-31)47(41-18-8-17-39-38-13-3-5-19-42(38)49-46(39)41)34-28-24-32(25-29-34)37-16-9-21-44-45(37)40-14-4-6-20-43(40)48-44/h1-29H/i19D.
What are the key properties of 6-deuterio-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
6-deuterio-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine has a molecular weight of 628.75 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 6-deuterio-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 170541951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).