N-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine

C46H29NO2 — CID 166775445

IUPACN-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(Nc2cccc3oc4cccc(-c5ccc(-c6cccc7ccccc67)cc5)c4c23)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C46H29NO2/c1-2-14-34-29(10-1)11-6-16-35(34)30-24-26-31(27-25-30)36-17-8-22-42-44(36)45-40(20-9-23-43(45)48-42)47-33-13-5-12-32(28-33)37-18-7-19-39-38-15-3-4-21-41(38)49-46(37)39/h1-28,47H
InChIKeyGQTRECQHHXXWPI-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.38
Rot. Bonds5

About N-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine

N-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine (PubChem CID 166775445) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
PubChem CID166775445
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(Nc2cccc3oc4cccc(-c5ccc(-c6cccc7ccccc67)cc5)c4c23)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C46H29NO2/c1-2-14-34-29(10-1)11-6-16-35(34)30-24-26-31(27-25-30)36-17-8-22-42-44(36)45-40(20-9-23-43(45)48-42)47-33-13-5-12-32(28-33)37-18-7-19-39-38-15-3-4-21-41(38)49-46(37)39/h1-28,47H
InChIKeyGQTRECQHHXXWPI-UHFFFAOYSA-N
XLogP13.38
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.74
LogP ≤ 513.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 166775546
N-(3-naphthalen-1-ylphenyl)-4-phenyldibenzofuran-1-amine
CID 172544792
N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 170108986
N-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298496
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
6-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-4-amine
CID 170320152
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536066
2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 126709673
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-(3-dibenzofuran-2-ylphenyl)-2-phenylaniline
CID 121360316

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine (CID 166775445) is N-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine is c1cc(Nc2cccc3oc4cccc(-c5ccc(-c6cccc7ccccc67)cc5)c4c23)cc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
The InChIKey is GQTRECQHHXXWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-2-14-34-29(10-1)11-6-16-35(34)30-24-26-31(27-25-30)36-17-8-22-42-44(36)45-40(20-9-23-43(45)48-42)47-33-13-5-12-32(28-33)37-18-7-19-39-38-15-3-4-21-41(38)49-46(37)39/h1-28,47H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
N-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine has a molecular weight of 627.74 g/mol, XLogP of 13.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 166775445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).