4-[3-(2-benzylphenyl)-4-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline

C62H45NO — CID 144661291

IUPAC4-[3-(2-benzylphenyl)-4-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1-c1ccccc1Cc1ccccc1
InChIInChI=1S/C62H45NO/c1-43-26-27-51(42-60(43)56-21-9-8-18-52(56)40-44-14-4-2-5-15-44)47-30-36-54(37-31-47)63(53-34-28-46(29-35-53)50-20-12-19-49(41-50)45-16-6-3-7-17-45)55-38-32-48(33-39-55)57-23-13-24-59-58-22-10-11-25-61(58)64-62(57)59/h2-39,41-42H,40H2,1H3
InChIKeyAKASJWPNVBJUKG-UHFFFAOYSA-N
MW820.05 g/mol
LogP17.29
Rot. Bonds10

About 4-[3-(2-benzylphenyl)-4-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline

4-[3-(2-benzylphenyl)-4-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 144661291) has the molecular formula C62H45NO and a molecular weight of 820.05 g/mol. Its IUPAC name is 4-[3-(2-benzylphenyl)-4-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-[3-(2-benzylphenyl)-4-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID144661291
Molecular FormulaC62H45NO
Molecular Weight820.05 g/mol
Exact Mass819.35
IUPAC Name4-[3-(2-benzylphenyl)-4-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1-c1ccccc1Cc1ccccc1
InChIInChI=1S/C62H45NO/c1-43-26-27-51(42-60(43)56-21-9-8-18-52(56)40-44-14-4-2-5-15-44)47-30-36-54(37-31-47)63(53-34-28-46(29-35-53)50-20-12-19-49(41-50)45-16-6-3-7-17-45)55-38-32-48(33-39-55)57-23-13-24-59-58-22-10-11-25-61(58)64-62(57)59/h2-39,41-42H,40H2,1H3
InChIKeyAKASJWPNVBJUKG-UHFFFAOYSA-N
XLogP17.29
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.05
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[3-(2-benzylphenyl)-4-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-(2-methylphenyl)-N-(4-phenylphenyl)aniline
CID 130250362
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
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)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808580
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
N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 161468375
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-dibenzofuran-4-ylphenyl)-N-[4-(2-methyl-4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 155119848
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
3-dibenzofuran-4-yl-N-[4-(2-methylphenyl)phenyl]-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline
CID 170941914

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-benzylphenyl)-4-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of 4-[3-(2-benzylphenyl)-4-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline (CID 144661291) is 4-[3-(2-benzylphenyl)-4-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 4-[3-(2-benzylphenyl)-4-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for 4-[3-(2-benzylphenyl)-4-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline is Cc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1-c1ccccc1Cc1ccccc1.
What is the InChIKey of 4-[3-(2-benzylphenyl)-4-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is AKASJWPNVBJUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45NO/c1-43-26-27-51(42-60(43)56-21-9-8-18-52(56)40-44-14-4-2-5-15-44)47-30-36-54(37-31-47)63(53-34-28-46(29-35-53)50-20-12-19-49(41-50)45-16-6-3-7-17-45)55-38-32-48(33-39-55)57-23-13-24-59-58-22-10-11-25-61(58)64-62(57)59/h2-39,41-42H,40H2,1H3.
What are the key properties of 4-[3-(2-benzylphenyl)-4-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
4-[3-(2-benzylphenyl)-4-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 820.05 g/mol, XLogP of 17.29, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-benzylphenyl)-4-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 144661291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).