3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline

C42H29NO — CID 121327922

IUPAC3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5oc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C42H29NO/c1-3-10-30(11-4-1)32-18-23-36(24-19-32)43(37-25-20-33(21-26-37)31-12-5-2-6-13-31)38-15-9-14-34(28-38)35-22-27-42-40(29-35)39-16-7-8-17-41(39)44-42/h1-29H
InChIKeyIPOIXOONGUTIBK-UHFFFAOYSA-N
MW563.70 g/mol
LogP12.06
Rot. Bonds6

About 3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline

3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline (PubChem CID 121327922) has the molecular formula C42H29NO and a molecular weight of 563.70 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
PubChem CID121327922
Molecular FormulaC42H29NO
Molecular Weight563.70 g/mol
Exact Mass563.22
IUPAC Name3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5oc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C42H29NO/c1-3-10-30(11-4-1)32-18-23-36(24-19-32)43(37-25-20-33(21-26-37)31-12-5-2-6-13-31)38-15-9-14-34(28-38)35-22-27-42-40(29-35)39-16-7-8-17-41(39)44-42/h1-29H
InChIKeyIPOIXOONGUTIBK-UHFFFAOYSA-N
XLogP12.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 118428337
N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline
CID 118214693
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
3-N,3-N-bis(4-dibenzofuran-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605075
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051
3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449954
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 118405810
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline (CID 121327922) is 3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5oc6ccccc6c5c4)c3)cc2)cc1.
What is the InChIKey of 3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is IPOIXOONGUTIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NO/c1-3-10-30(11-4-1)32-18-23-36(24-19-32)43(37-25-20-33(21-26-37)31-12-5-2-6-13-31)38-15-9-14-34(28-38)35-22-27-42-40(29-35)39-16-7-8-17-41(39)44-42/h1-29H.
What are the key properties of 3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline?
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 563.70 g/mol, XLogP of 12.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 121327922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).