N-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline

C58H40N2O — CID 167235133

IUPACN-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
SMILESC1=CC2c3ccccc3N(c3ccccc3N(c3cc(-c4cccc5ccccc45)ccc3-c3ccccc3)c3ccccc3-c3cccc4c3oc3ccccc34)C2C=C1
InChIInChI=1S/C58H40N2O/c1-2-18-40(19-3-1)44-37-36-41(43-27-16-21-39-20-4-5-22-42(39)43)38-56(44)60(53-32-12-8-25-47(53)49-28-17-29-50-48-26-9-15-35-57(48)61-58(49)50)55-34-14-13-33-54(55)59-51-30-10-6-23-45(51)46-24-7-11-31-52(46)59/h1-38,45,51H
InChIKeyDFGPMSNFZLBBIK-UHFFFAOYSA-N
MW780.97 g/mol
LogP15.94
Rot. Bonds7

About N-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline

N-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline (PubChem CID 167235133) has the molecular formula C58H40N2O and a molecular weight of 780.97 g/mol. Its IUPAC name is N-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline.

Molecular Properties

Compound NameN-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
PubChem CID167235133
Molecular FormulaC58H40N2O
Molecular Weight780.97 g/mol
Exact Mass780.31
IUPAC NameN-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
SMILESC1=CC2c3ccccc3N(c3ccccc3N(c3cc(-c4cccc5ccccc45)ccc3-c3ccccc3)c3ccccc3-c3cccc4c3oc3ccccc34)C2C=C1
InChIInChI=1S/C58H40N2O/c1-2-18-40(19-3-1)44-37-36-41(43-27-16-21-39-20-4-5-22-42(39)43)38-56(44)60(53-32-12-8-25-47(53)49-28-17-29-50-48-26-9-15-35-57(48)61-58(49)50)55-34-14-13-33-54(55)59-51-30-10-6-23-45(51)46-24-7-11-31-52(46)59/h1-38,45,51H
InChIKeyDFGPMSNFZLBBIK-UHFFFAOYSA-N
XLogP15.94
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.97
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline 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-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 167234338
4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine
CID 167227674
N-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
CID 167234495
N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167235615
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649
N-(4-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-1-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline
CID 155374438
N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine
CID 167234079
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline
CID 167235611
N-(4-dibenzofuran-4-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234637
4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069796
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-1-yl]-4a,9a-dihydrocarbazole
CID 166962394
9-[6-[3-[2-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163612002

Frequently Asked Questions

What is the IUPAC name of N-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline?
The IUPAC name of N-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline (CID 167235133) is N-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline.
What is the SMILES notation for N-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline?
The canonical SMILES for N-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline is C1=CC2c3ccccc3N(c3ccccc3N(c3cc(-c4cccc5ccccc45)ccc3-c3ccccc3)c3ccccc3-c3cccc4c3oc3ccccc34)C2C=C1.
What is the InChIKey of N-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline?
The InChIKey is DFGPMSNFZLBBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2O/c1-2-18-40(19-3-1)44-37-36-41(43-27-16-21-39-20-4-5-22-42(39)43)38-56(44)60(53-32-12-8-25-47(53)49-28-17-29-50-48-26-9-15-35-57(48)61-58(49)50)55-34-14-13-33-54(55)59-51-30-10-6-23-45(51)46-24-7-11-31-52(46)59/h1-38,45,51H.
What are the key properties of N-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline?
N-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline has a molecular weight of 780.97 g/mol, XLogP of 15.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline is sourced from PubChem (CID 167235133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).