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

C48H33NO — CID 126709658

IUPAC2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccccc3-c3cccc(-c4cccc5c4oc4ccccc45)c3)c2)cc1
InChIInChI=1S/C48H33NO/c1-3-15-34(16-4-1)36-19-12-23-40(32-36)49(41-24-13-20-37(33-41)35-17-5-2-6-18-35)46-29-9-7-25-42(46)38-21-11-22-39(31-38)43-27-14-28-45-44-26-8-10-30-47(44)50-48(43)45/h1-33H
InChIKeyBBOAQHDTHNCHGP-UHFFFAOYSA-N
MW639.80 g/mol
LogP13.72
Rot. Bonds7

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

2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline (PubChem CID 126709658) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is 2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline.

Molecular Properties

Compound Name2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline
PubChem CID126709658
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC Name2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccccc3-c3cccc(-c4cccc5c4oc4ccccc45)c3)c2)cc1
InChIInChI=1S/C48H33NO/c1-3-15-34(16-4-1)36-19-12-23-40(32-36)49(41-24-13-20-37(33-41)35-17-5-2-6-18-35)46-29-9-7-25-42(46)38-21-11-22-39(31-38)43-27-14-28-45-44-26-8-10-30-47(44)50-48(43)45/h1-33H
InChIKeyBBOAQHDTHNCHGP-UHFFFAOYSA-N
XLogP13.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 155186822
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501677
N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501323
N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 167087215
N-(4-dibenzofuran-4-ylphenyl)-2-[3-[6-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]naphthalen-2-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 155133205
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502573
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649
4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069333
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 122675345
N-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168789688

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline?
The IUPAC name of 2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline (CID 126709658) is 2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline.
What is the SMILES notation for 2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline?
The canonical SMILES for 2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccccc3-c3cccc(-c4cccc5c4oc4ccccc45)c3)c2)cc1.
What is the InChIKey of 2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline?
The InChIKey is BBOAQHDTHNCHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-3-15-34(16-4-1)36-19-12-23-40(32-36)49(41-24-13-20-37(33-41)35-17-5-2-6-18-35)46-29-9-7-25-42(46)38-21-11-22-39(31-38)43-27-14-28-45-44-26-8-10-30-47(44)50-48(43)45/h1-33H.
What are the key properties of 2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline?
2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline has a molecular weight of 639.80 g/mol, XLogP of 13.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline is sourced from PubChem (CID 126709658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).