4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline

C96H67BrN2O2 — CID 159095778

IUPAC4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline
SMILESBrc1ccc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C48H33NO.C24H15BrO.C24H19N/c1-3-11-34(12-4-1)36-21-27-41(28-22-36)49(42-29-23-37(24-30-42)35-13-5-2-6-14-35)43-31-25-38(26-32-43)39-15-9-16-40(33-39)44-18-10-19-46-45-17-7-8-20-47(45)50-48(44)46;25-19-13-11-16(12-14-19)17-5-3-6-18(15-17)20-8-4-9-22-21-7-1-2-10-23(21)26-24(20)22;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-33H;1-15H;1-18,25H
InChIKeyKCQNLWOQGNYLEU-UHFFFAOYSA-N
MW1360.51 g/mol
LogP28.17
Rot. Bonds13

About 4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline

4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 159095778) has the molecular formula C96H67BrN2O2 and a molecular weight of 1360.51 g/mol. Its IUPAC name is 4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID159095778
Molecular FormulaC96H67BrN2O2
Molecular Weight1360.51 g/mol
Exact Mass1358.44
IUPAC Name4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline
SMILESBrc1ccc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C48H33NO.C24H15BrO.C24H19N/c1-3-11-34(12-4-1)36-21-27-41(28-22-36)49(42-29-23-37(24-30-42)35-13-5-2-6-14-35)43-31-25-38(26-32-43)39-15-9-16-40(33-39)44-18-10-19-46-45-17-7-8-20-47(45)50-48(44)46;25-19-13-11-16(12-14-19)17-5-3-6-18(15-17)20-8-4-9-22-21-7-1-2-10-23(21)26-24(20)22;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-33H;1-15H;1-18,25H
InChIKeyKCQNLWOQGNYLEU-UHFFFAOYSA-N
XLogP28.17
TPSA41.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001360.51
LogP ≤ 528.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)aniline
CID 159673043
1-(4-bromophenyl)naphthalene;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-ylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 159645166
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
N-(4-bromophenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-phenylaniline
CID 135165693
3-dibenzofuran-4-yl-N,N-bis[4-[3-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(2-phenylphenyl)phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 162075230
N-(4-dibenzofuran-4-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155374400
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808580

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline (CID 159095778) is 4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline is Brc1ccc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is KCQNLWOQGNYLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO.C24H15BrO.C24H19N/c1-3-11-34(12-4-1)36-21-27-41(28-22-36)49(42-29-23-37(24-30-42)35-13-5-2-6-14-35)43-31-25-38(26-32-43)39-15-9-16-40(33-39)44-18-10-19-46-45-17-7-8-20-47(45)50-48(44)46;25-19-13-11-16(12-14-19)17-5-3-6-18(15-17)20-8-4-9-22-21-7-1-2-10-23(21)26-24(20)22;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-33H;1-15H;1-18,25H.
What are the key properties of 4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline?
4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 1360.51 g/mol, XLogP of 28.17, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 159095778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).