N-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline

C40H27NO — CID 170298496

IUPACN-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4Nc4cccc(-c5cccc6oc7ccccc7c56)c4)c23)cc1
InChIInChI=1S/C40H27NO/c1-2-12-27(13-3-1)31-20-9-14-28-15-10-22-34(39(28)31)33-18-4-6-23-36(33)41-30-17-8-16-29(26-30)32-21-11-25-38-40(32)35-19-5-7-24-37(35)42-38/h1-26,41H
InChIKeyBAEKKNAFTWMLMA-UHFFFAOYSA-N
MW537.66 g/mol
LogP11.48
Rot. Bonds5

About N-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline

N-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline (PubChem CID 170298496) has the molecular formula C40H27NO and a molecular weight of 537.66 g/mol. Its IUPAC name is N-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
PubChem CID170298496
Molecular FormulaC40H27NO
Molecular Weight537.66 g/mol
Exact Mass537.21
IUPAC NameN-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4Nc4cccc(-c5cccc6oc7ccccc7c56)c4)c23)cc1
InChIInChI=1S/C40H27NO/c1-2-12-27(13-3-1)31-20-9-14-28-15-10-22-34(39(28)31)33-18-4-6-23-36(33)41-30-17-8-16-29(26-30)32-21-11-25-38-40(32)35-19-5-7-24-37(35)42-38/h1-26,41H
InChIKeyBAEKKNAFTWMLMA-UHFFFAOYSA-N
XLogP11.48
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 511.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 170108986
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-dibenzofuran-2-ylphenyl)-2-phenylaniline
CID 121360316
N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163590855
N-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 166775445
2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline
CID 118534074
2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 126709673
N-[3-[8-(3-fluorophenyl)naphthalen-1-yl]phenyl]dibenzofuran-2-amine
CID 171763443
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
N,9-diphenyldibenzofuran-3-amine
CID 156790002
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline?
The IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline (CID 170298496) is N-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline.
What is the SMILES notation for N-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline?
The canonical SMILES for N-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline is c1ccc(-c2cccc3cccc(-c4ccccc4Nc4cccc(-c5cccc6oc7ccccc7c56)c4)c23)cc1.
What is the InChIKey of N-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline?
The InChIKey is BAEKKNAFTWMLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO/c1-2-12-27(13-3-1)31-20-9-14-28-15-10-22-34(39(28)31)33-18-4-6-23-36(33)41-30-17-8-16-29(26-30)32-21-11-25-38-40(32)35-19-5-7-24-37(35)42-38/h1-26,41H.
What are the key properties of N-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline?
N-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline has a molecular weight of 537.66 g/mol, XLogP of 11.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline is sourced from PubChem (CID 170298496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).