N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]dibenzothiophen-3-amine

C43H32N2S — CID 168810593

IUPACN-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]dibenzothiophen-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(Cc3ccc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C43H32N2S/c1-4-12-34(13-5-1)44(35-14-6-2-7-15-35)37-24-20-32(21-25-37)30-33-22-26-38(27-23-33)45(36-16-8-3-9-17-36)39-28-29-41-40-18-10-11-19-42(40)46-43(41)31-39/h1-29,31H,30H2
InChIKeyYQMXWWGPOLKKIY-UHFFFAOYSA-N
MW608.81 g/mol
LogP12.58
Rot. Bonds8

About N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]dibenzothiophen-3-amine

N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]dibenzothiophen-3-amine (PubChem CID 168810593) has the molecular formula C43H32N2S and a molecular weight of 608.81 g/mol. Its IUPAC name is N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]dibenzothiophen-3-amine
PubChem CID168810593
Molecular FormulaC43H32N2S
Molecular Weight608.81 g/mol
Exact Mass608.23
IUPAC NameN-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]dibenzothiophen-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(Cc3ccc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C43H32N2S/c1-4-12-34(13-5-1)44(35-14-6-2-7-15-35)37-24-20-32(21-25-37)30-33-22-26-38(27-23-33)45(36-16-8-3-9-17-36)39-28-29-41-40-18-10-11-19-42(40)46-43(41)31-39/h1-29,31H,30H2
InChIKeyYQMXWWGPOLKKIY-UHFFFAOYSA-N
XLogP12.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.81
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]dibenzothiophen-3-amine 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

2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
2-N-dibenzothiophen-3-yl-2-N,7-N,7-N-triphenylphenanthrene-2,7-diamine
CID 170410437
N-dibenzothiophen-3-yl-N-phenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-amine
CID 162475544
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine
CID 170039484
2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine
CID 146576040
2-N,9-N-di(dibenzothiophen-3-yl)-2-N,9-N-diphenylchrysene-2,9-diamine
CID 170410342
7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 146573933
7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine
CID 134553264
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-silylphenyl)dibenzothiophene-2,7-diamine
CID 159001337
4-[di(dibenzothiophen-3-yl)amino]-2-(N-phenylanilino)phenol
CID 134476318
N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167324291

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]dibenzothiophen-3-amine (CID 168810593) is N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]dibenzothiophen-3-amine is c1ccc(N(c2ccccc2)c2ccc(Cc3ccc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]dibenzothiophen-3-amine?
The InChIKey is YQMXWWGPOLKKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2S/c1-4-12-34(13-5-1)44(35-14-6-2-7-15-35)37-24-20-32(21-25-37)30-33-22-26-38(27-23-33)45(36-16-8-3-9-17-36)39-28-29-41-40-18-10-11-19-42(40)46-43(41)31-39/h1-29,31H,30H2.
What are the key properties of N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]dibenzothiophen-3-amine?
N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]dibenzothiophen-3-amine has a molecular weight of 608.81 g/mol, XLogP of 12.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 168810593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).