2-N,8-N-bis(2-phenylphenyl)dibenzofuran-2,8-diamine

C36H26N2O — CID 141309629

IUPAC2-N,8-N-bis(2-phenylphenyl)dibenzofuran-2,8-diamine
SMILESc1ccc(-c2ccccc2Nc2ccc3oc4ccc(Nc5ccccc5-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C36H26N2O/c1-3-11-25(12-4-1)29-15-7-9-17-33(29)37-27-19-21-35-31(23-27)32-24-28(20-22-36(32)39-35)38-34-18-10-8-16-30(34)26-13-5-2-6-14-26/h1-24,37-38H
InChIKeyRYDIBDYNDOKTDK-UHFFFAOYSA-N
MW502.62 g/mol
LogP10.41
Rot. Bonds6

About 2-N,8-N-bis(2-phenylphenyl)dibenzofuran-2,8-diamine

2-N,8-N-bis(2-phenylphenyl)dibenzofuran-2,8-diamine (PubChem CID 141309629) has the molecular formula C36H26N2O and a molecular weight of 502.62 g/mol. Its IUPAC name is 2-N,8-N-bis(2-phenylphenyl)dibenzofuran-2,8-diamine.

Molecular Properties

Compound Name2-N,8-N-bis(2-phenylphenyl)dibenzofuran-2,8-diamine
PubChem CID141309629
Molecular FormulaC36H26N2O
Molecular Weight502.62 g/mol
Exact Mass502.20
IUPAC Name2-N,8-N-bis(2-phenylphenyl)dibenzofuran-2,8-diamine
SMILESc1ccc(-c2ccccc2Nc2ccc3oc4ccc(Nc5ccccc5-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C36H26N2O/c1-3-11-25(12-4-1)29-15-7-9-17-33(29)37-27-19-21-35-31(23-27)32-24-28(20-22-36(32)39-35)38-34-18-10-8-16-30(34)26-13-5-2-6-14-26/h1-24,37-38H
InChIKeyRYDIBDYNDOKTDK-UHFFFAOYSA-N
XLogP10.41
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 510.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzofuran-2-ylphenyl)-2-phenylaniline
CID 121360316
2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-diamine
CID 144681198
6-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-4-amine
CID 170320152
1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 169027344
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline
CID 118534074
benzene;N,2-diphenylaniline
CID 175029921
N-dibenzofuran-1-yldibenzofuran-2-amine
CID 164743454
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
9,9-di(dibenzofuran-2-yl)-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 142453747
N-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine
CID 129082368
1-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
CID 118429255

Frequently Asked Questions

What is the IUPAC name of 2-N,8-N-bis(2-phenylphenyl)dibenzofuran-2,8-diamine?
The IUPAC name of 2-N,8-N-bis(2-phenylphenyl)dibenzofuran-2,8-diamine (CID 141309629) is 2-N,8-N-bis(2-phenylphenyl)dibenzofuran-2,8-diamine.
What is the SMILES notation for 2-N,8-N-bis(2-phenylphenyl)dibenzofuran-2,8-diamine?
The canonical SMILES for 2-N,8-N-bis(2-phenylphenyl)dibenzofuran-2,8-diamine is c1ccc(-c2ccccc2Nc2ccc3oc4ccc(Nc5ccccc5-c5ccccc5)cc4c3c2)cc1.
What is the InChIKey of 2-N,8-N-bis(2-phenylphenyl)dibenzofuran-2,8-diamine?
The InChIKey is RYDIBDYNDOKTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2O/c1-3-11-25(12-4-1)29-15-7-9-17-33(29)37-27-19-21-35-31(23-27)32-24-28(20-22-36(32)39-35)38-34-18-10-8-16-30(34)26-13-5-2-6-14-26/h1-24,37-38H.
What are the key properties of 2-N,8-N-bis(2-phenylphenyl)dibenzofuran-2,8-diamine?
2-N,8-N-bis(2-phenylphenyl)dibenzofuran-2,8-diamine has a molecular weight of 502.62 g/mol, XLogP of 10.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,8-N-bis(2-phenylphenyl)dibenzofuran-2,8-diamine is sourced from PubChem (CID 141309629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).