4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenyl-N-[4-(6,7,8,9-tetrahydrodibenzofuran-4-yl)phenyl]aniline

C60H44N2O2 — CID 156569407

IUPAC4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenyl-N-[4-(6,7,8,9-tetrahydrodibenzofuran-4-yl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)c2ccc(-c3cccc4c5c(oc34)CCCC5)cc2)cc1
InChIInChI=1S/C60H44N2O2/c1-3-13-45(14-4-1)61(49-37-29-43(30-38-49)51-19-11-21-55-53-17-7-9-23-57(53)63-59(51)55)47-33-25-41(26-34-47)42-27-35-48(36-28-42)62(46-15-5-2-6-16-46)50-39-31-44(32-40-50)52-20-12-22-56-54-18-8-10-24-58(54)64-60(52)56/h1-7,9,11-17,19-23,25-40H,8,10,18,24H2
InChIKeyMYUUWCMPPHSQCR-UHFFFAOYSA-N
MW825.02 g/mol
LogP17.15
Rot. Bonds9

About 4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenyl-N-[4-(6,7,8,9-tetrahydrodibenzofuran-4-yl)phenyl]aniline

4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenyl-N-[4-(6,7,8,9-tetrahydrodibenzofuran-4-yl)phenyl]aniline (PubChem CID 156569407) has the molecular formula C60H44N2O2 and a molecular weight of 825.02 g/mol. Its IUPAC name is 4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenyl-N-[4-(6,7,8,9-tetrahydrodibenzofuran-4-yl)phenyl]aniline.

Molecular Properties

Compound Name4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenyl-N-[4-(6,7,8,9-tetrahydrodibenzofuran-4-yl)phenyl]aniline
PubChem CID156569407
Molecular FormulaC60H44N2O2
Molecular Weight825.02 g/mol
Exact Mass824.34
IUPAC Name4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenyl-N-[4-(6,7,8,9-tetrahydrodibenzofuran-4-yl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)c2ccc(-c3cccc4c5c(oc34)CCCC5)cc2)cc1
InChIInChI=1S/C60H44N2O2/c1-3-13-45(14-4-1)61(49-37-29-43(30-38-49)51-19-11-21-55-53-17-7-9-23-57(53)63-59(51)55)47-33-25-41(26-34-47)42-27-35-48(36-28-42)62(46-15-5-2-6-16-46)50-39-31-44(32-40-50)52-20-12-22-56-54-18-8-10-24-58(54)64-60(52)56/h1-7,9,11-17,19-23,25-40H,8,10,18,24H2
InChIKeyMYUUWCMPPHSQCR-UHFFFAOYSA-N
XLogP17.15
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.02
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenyl-N-[4-(6,7,8,9-tetrahydrodibenzofuran-4-yl)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

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
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
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
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
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
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
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(4-triphenylsilylphenyl)aniline;methane
CID 159197890
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157079303
N-(4-dibenzofuran-4-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 58113345

Frequently Asked Questions

What is the IUPAC name of 4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenyl-N-[4-(6,7,8,9-tetrahydrodibenzofuran-4-yl)phenyl]aniline?
The IUPAC name of 4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenyl-N-[4-(6,7,8,9-tetrahydrodibenzofuran-4-yl)phenyl]aniline (CID 156569407) is 4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenyl-N-[4-(6,7,8,9-tetrahydrodibenzofuran-4-yl)phenyl]aniline.
What is the SMILES notation for 4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenyl-N-[4-(6,7,8,9-tetrahydrodibenzofuran-4-yl)phenyl]aniline?
The canonical SMILES for 4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenyl-N-[4-(6,7,8,9-tetrahydrodibenzofuran-4-yl)phenyl]aniline is c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)c2ccc(-c3cccc4c5c(oc34)CCCC5)cc2)cc1.
What is the InChIKey of 4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenyl-N-[4-(6,7,8,9-tetrahydrodibenzofuran-4-yl)phenyl]aniline?
The InChIKey is MYUUWCMPPHSQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2O2/c1-3-13-45(14-4-1)61(49-37-29-43(30-38-49)51-19-11-21-55-53-17-7-9-23-57(53)63-59(51)55)47-33-25-41(26-34-47)42-27-35-48(36-28-42)62(46-15-5-2-6-16-46)50-39-31-44(32-40-50)52-20-12-22-56-54-18-8-10-24-58(54)64-60(52)56/h1-7,9,11-17,19-23,25-40H,8,10,18,24H2.
What are the key properties of 4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenyl-N-[4-(6,7,8,9-tetrahydrodibenzofuran-4-yl)phenyl]aniline?
4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenyl-N-[4-(6,7,8,9-tetrahydrodibenzofuran-4-yl)phenyl]aniline has a molecular weight of 825.02 g/mol, XLogP of 17.15, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenyl-N-[4-(6,7,8,9-tetrahydrodibenzofuran-4-yl)phenyl]aniline is sourced from PubChem (CID 156569407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).