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

C96H67BrN2O2 — CID 159673043

IUPAC4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)aniline
SMILESBrc1ccc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2cccc(N(c3ccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)c3cccc(-c4ccccc4)c3)c2)cc1.c1ccc(-c2cccc(Nc3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C48H33NO.C24H15BrO.C24H19N/c1-3-13-34(14-4-1)38-18-10-21-42(32-38)49(43-22-11-19-39(33-43)35-15-5-2-6-16-35)41-29-27-36(28-30-41)37-17-9-20-40(31-37)44-24-12-25-46-45-23-7-8-26-47(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;1-3-9-19(10-4-1)21-13-7-15-23(17-21)25-24-16-8-14-22(18-24)20-11-5-2-6-12-20/h1-33H;1-15H;1-18,25H
InChIKeyMUFXFWNBQZGVBL-UHFFFAOYSA-N
MW1360.51 g/mol
LogP28.17
Rot. Bonds13

About 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

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 (PubChem CID 159673043) 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]-3-phenyl-N-(3-phenylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound Name4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)aniline
PubChem CID159673043
Molecular FormulaC96H67BrN2O2
Molecular Weight1360.51 g/mol
Exact Mass1358.44
IUPAC Name4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)aniline
SMILESBrc1ccc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2cccc(N(c3ccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)c3cccc(-c4ccccc4)c3)c2)cc1.c1ccc(-c2cccc(Nc3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C48H33NO.C24H15BrO.C24H19N/c1-3-13-34(14-4-1)38-18-10-21-42(32-38)49(43-22-11-19-39(33-43)35-15-5-2-6-16-35)41-29-27-36(28-30-41)37-17-9-20-40(31-37)44-24-12-25-46-45-23-7-8-26-47(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;1-3-9-19(10-4-1)21-13-7-15-23(17-21)25-24-16-8-14-22(18-24)20-11-5-2-6-12-20/h1-33H;1-15H;1-18,25H
InChIKeyMUFXFWNBQZGVBL-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]-3-phenyl-N-(3-phenylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)aniline with MolForge

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Related Compounds

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
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
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-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline
CID 153447918
N-(3-dibenzofuran-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169063593
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167358323
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-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]aniline
CID 118428371
2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline
CID 126709658

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2cccc(N(c3ccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)c3cccc(-c4ccccc4)c3)c2)cc1.c1ccc(-c2cccc(Nc3cccc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is MUFXFWNBQZGVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO.C24H15BrO.C24H19N/c1-3-13-34(14-4-1)38-18-10-21-42(32-38)49(43-22-11-19-39(33-43)35-15-5-2-6-16-35)41-29-27-36(28-30-41)37-17-9-20-40(31-37)44-24-12-25-46-45-23-7-8-26-47(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;1-3-9-19(10-4-1)21-13-7-15-23(17-21)25-24-16-8-14-22(18-24)20-11-5-2-6-12-20/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]-3-phenyl-N-(3-phenylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)aniline?
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 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]-3-phenyl-N-(3-phenylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 159673043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).