6-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-4-amine

C36H23NO2 — CID 170320152

IUPAC6-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(Nc4ccc5oc6cccc(-c7ccccc7)c6c5c4)cccc23)cc1
InChIInChI=1S/C36H23NO2/c1-3-10-23(11-4-1)26-14-9-19-33-34(26)30-22-25(20-21-32(30)38-33)37-31-18-8-17-29-28-16-7-15-27(35(28)39-36(29)31)24-12-5-2-6-13-24/h1-22,37H
InChIKeyKCYBQXJGFNBSRD-UHFFFAOYSA-N
MW501.59 g/mol
LogP10.56
Rot. Bonds4

About 6-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-4-amine

6-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-4-amine (PubChem CID 170320152) has the molecular formula C36H23NO2 and a molecular weight of 501.59 g/mol. Its IUPAC name is 6-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-4-amine.

Molecular Properties

Compound Name6-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-4-amine
PubChem CID170320152
Molecular FormulaC36H23NO2
Molecular Weight501.59 g/mol
Exact Mass501.17
IUPAC Name6-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(Nc4ccc5oc6cccc(-c7ccccc7)c6c5c4)cccc23)cc1
InChIInChI=1S/C36H23NO2/c1-3-10-23(11-4-1)26-14-9-19-33-34(26)30-22-25(20-21-32(30)38-33)37-31-18-8-17-29-28-16-7-15-27(35(28)39-36(29)31)24-12-5-2-6-13-24/h1-22,37H
InChIKeyKCYBQXJGFNBSRD-UHFFFAOYSA-N
XLogP10.56
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 510.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenanthren-2-yl-6-phenyldibenzofuran-4-amine
CID 118027817
2-N,8-N-bis(2-phenylphenyl)dibenzofuran-2,8-diamine
CID 141309629
N-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 166775445
N-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298496
N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 170108986
1,6-diphenyldibenzofuran
CID 145331756
N-(3-dibenzofuran-2-ylphenyl)-2-phenylaniline
CID 121360316
N-dibenzofuran-1-yldibenzofuran-2-amine
CID 164743454
N,9-diphenyldibenzofuran-3-amine
CID 156790002
N-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 166775546
N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine
CID 172539034
8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176759717

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-4-amine?
The IUPAC name of 6-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-4-amine (CID 170320152) is 6-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-4-amine.
What is the SMILES notation for 6-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-4-amine?
The canonical SMILES for 6-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-4-amine is c1ccc(-c2cccc3c2oc2c(Nc4ccc5oc6cccc(-c7ccccc7)c6c5c4)cccc23)cc1.
What is the InChIKey of 6-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-4-amine?
The InChIKey is KCYBQXJGFNBSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NO2/c1-3-10-23(11-4-1)26-14-9-19-33-34(26)30-22-25(20-21-32(30)38-33)37-31-18-8-17-29-28-16-7-15-27(35(28)39-36(29)31)24-12-5-2-6-13-24/h1-22,37H.
What are the key properties of 6-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-4-amine?
6-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-4-amine has a molecular weight of 501.59 g/mol, XLogP of 10.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-4-amine is sourced from PubChem (CID 170320152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).