N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline

C68H45NS — CID 169065383

IUPACN-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline
SMILESc1ccc(-c2cccc(-c3ccccc3)c2N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2cccc(-c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c2)cc1
InChIInChI=1S/C68H45NS/c1-5-20-46(21-6-1)55-33-18-34-56(47-22-7-2-8-23-47)67(55)69(53-41-38-48(39-42-53)57-35-19-36-62-60-31-15-16-37-64(60)70-68(57)62)54-29-17-28-51(44-54)52-40-43-59-58-30-13-14-32-61(58)65(49-24-9-3-10-25-49)66(63(59)45-52)50-26-11-4-12-27-50/h1-45H
InChIKeyFRPQVBCWDGKUJL-UHFFFAOYSA-N
MW908.18 g/mol
LogP19.83
Rot. Bonds9

About N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline

N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline (PubChem CID 169065383) has the molecular formula C68H45NS and a molecular weight of 908.18 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline
PubChem CID169065383
Molecular FormulaC68H45NS
Molecular Weight908.18 g/mol
Exact Mass907.33
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline
SMILESc1ccc(-c2cccc(-c3ccccc3)c2N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2cccc(-c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c2)cc1
InChIInChI=1S/C68H45NS/c1-5-20-46(21-6-1)55-33-18-34-56(47-22-7-2-8-23-47)67(55)69(53-41-38-48(39-42-53)57-35-19-36-62-60-31-15-16-37-64(60)70-68(57)62)54-29-17-28-51(44-54)52-40-43-59-58-30-13-14-32-61(58)65(49-24-9-3-10-25-49)66(63(59)45-52)50-26-11-4-12-27-50/h1-45H
InChIKeyFRPQVBCWDGKUJL-UHFFFAOYSA-N
XLogP19.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.18
LogP ≤ 519.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline 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-(4-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-phenylaniline
CID 169065539
N-(4-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064173
N-(3-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064842
N-(3-dibenzothiophen-4-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine
CID 169064800
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline
CID 169063836
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063761
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenylnaphthalen-2-amine
CID 169062517
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-10-(3-phenylphenyl)phenanthren-9-amine
CID 155303762
N-(3-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-1-amine
CID 169063967
N-[4-[4-(10-dibenzothiophen-4-ylphenanthren-9-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 142541696
N-(3-dibenzothiophen-4-ylphenyl)-2-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 169062575
3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline (CID 169065383) is N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline is c1ccc(-c2cccc(-c3ccccc3)c2N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2cccc(-c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline?
The InChIKey is FRPQVBCWDGKUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45NS/c1-5-20-46(21-6-1)55-33-18-34-56(47-22-7-2-8-23-47)67(55)69(53-41-38-48(39-42-53)57-35-19-36-62-60-31-15-16-37-64(60)70-68(57)62)54-29-17-28-51(44-54)52-40-43-59-58-30-13-14-32-61(58)65(49-24-9-3-10-25-49)66(63(59)45-52)50-26-11-4-12-27-50/h1-45H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline?
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline has a molecular weight of 908.18 g/mol, XLogP of 19.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline is sourced from PubChem (CID 169065383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).