5-(4-dibenzothiophen-1-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine

C60H42N2S — CID 122551978

IUPAC5-(4-dibenzothiophen-1-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3cc(-c4ccc(-c5cccc6sc7ccccc7c56)cc4)cc(N(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C60H42N2S/c1-6-19-43(20-7-1)47-37-48(44-21-8-2-9-22-44)39-53(38-47)62(52-27-14-5-15-28-52)55-41-49(40-54(42-55)61(50-23-10-3-11-24-50)51-25-12-4-13-26-51)45-33-35-46(36-34-45)56-30-18-32-59-60(56)57-29-16-17-31-58(57)63-59/h1-42H
InChIKeyUAMDYQBWLRJCAL-UHFFFAOYSA-N
MW823.08 g/mol
LogP17.66
Rot. Bonds10

About 5-(4-dibenzothiophen-1-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine

5-(4-dibenzothiophen-1-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine (PubChem CID 122551978) has the molecular formula C60H42N2S and a molecular weight of 823.08 g/mol. Its IUPAC name is 5-(4-dibenzothiophen-1-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-(4-dibenzothiophen-1-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
PubChem CID122551978
Molecular FormulaC60H42N2S
Molecular Weight823.08 g/mol
Exact Mass822.31
IUPAC Name5-(4-dibenzothiophen-1-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3cc(-c4ccc(-c5cccc6sc7ccccc7c56)cc4)cc(N(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C60H42N2S/c1-6-19-43(20-7-1)47-37-48(44-21-8-2-9-22-44)39-53(38-47)62(52-27-14-5-15-28-52)55-41-49(40-54(42-55)61(50-23-10-3-11-24-50)51-25-12-4-13-26-51)45-33-35-46(36-34-45)56-30-18-32-59-60(56)57-29-16-17-31-58(57)63-59/h1-42H
InChIKeyUAMDYQBWLRJCAL-UHFFFAOYSA-N
XLogP17.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.08
LogP ≤ 517.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4-dibenzothiophen-1-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine 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-1-ylphenyl)-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 164831978
3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639
N-[4-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 121261361
5-dibenzothiophen-1-yl-3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 134337286
N-[4-(9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 153300486
N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 164744330
3-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 165085961
2-[2-(N-(4-dibenzothiophen-1-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167087126
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-2-amine
CID 167184166
3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378
N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383274
N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767282

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzothiophen-1-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The IUPAC name of 5-(4-dibenzothiophen-1-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine (CID 122551978) is 5-(4-dibenzothiophen-1-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine.
What is the SMILES notation for 5-(4-dibenzothiophen-1-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The canonical SMILES for 5-(4-dibenzothiophen-1-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3cc(-c4ccc(-c5cccc6sc7ccccc7c56)cc4)cc(N(c4ccccc4)c4ccccc4)c3)c2)cc1.
What is the InChIKey of 5-(4-dibenzothiophen-1-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The InChIKey is UAMDYQBWLRJCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2S/c1-6-19-43(20-7-1)47-37-48(44-21-8-2-9-22-44)39-53(38-47)62(52-27-14-5-15-28-52)55-41-49(40-54(42-55)61(50-23-10-3-11-24-50)51-25-12-4-13-26-51)45-33-35-46(36-34-45)56-30-18-32-59-60(56)57-29-16-17-31-58(57)63-59/h1-42H.
What are the key properties of 5-(4-dibenzothiophen-1-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
5-(4-dibenzothiophen-1-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine has a molecular weight of 823.08 g/mol, XLogP of 17.66, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzothiophen-1-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine is sourced from PubChem (CID 122551978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).