N-(4-dibenzothiophen-1-ylphenyl)-N,2-diphenylbenzo[g][1,3]benzoxazol-7-amine

C41H26N2OS — CID 171410430

IUPACN-(4-dibenzothiophen-1-ylphenyl)-N,2-diphenylbenzo[g][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2nc3ccc4cc(N(c5ccccc5)c5ccc(-c6cccc7sc8ccccc8c67)cc5)ccc4c3o2)cc1
InChIInChI=1S/C41H26N2OS/c1-3-10-28(11-4-1)41-42-36-25-20-29-26-32(23-24-34(29)40(36)44-41)43(30-12-5-2-6-13-30)31-21-18-27(19-22-31)33-15-9-17-38-39(33)35-14-7-8-16-37(35)45-38/h1-26H
InChIKeyUUIQLWQPVVWWBH-UHFFFAOYSA-N
MW594.74 g/mol
LogP12.15
Rot. Bonds5

About N-(4-dibenzothiophen-1-ylphenyl)-N,2-diphenylbenzo[g][1,3]benzoxazol-7-amine

N-(4-dibenzothiophen-1-ylphenyl)-N,2-diphenylbenzo[g][1,3]benzoxazol-7-amine (PubChem CID 171410430) has the molecular formula C41H26N2OS and a molecular weight of 594.74 g/mol. Its IUPAC name is N-(4-dibenzothiophen-1-ylphenyl)-N,2-diphenylbenzo[g][1,3]benzoxazol-7-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-1-ylphenyl)-N,2-diphenylbenzo[g][1,3]benzoxazol-7-amine
PubChem CID171410430
Molecular FormulaC41H26N2OS
Molecular Weight594.74 g/mol
Exact Mass594.18
IUPAC NameN-(4-dibenzothiophen-1-ylphenyl)-N,2-diphenylbenzo[g][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2nc3ccc4cc(N(c5ccccc5)c5ccc(-c6cccc7sc8ccccc8c67)cc5)ccc4c3o2)cc1
InChIInChI=1S/C41H26N2OS/c1-3-10-28(11-4-1)41-42-36-25-20-29-26-32(23-24-34(29)40(36)44-41)43(30-12-5-2-6-13-30)31-21-18-27(19-22-31)33-15-9-17-38-39(33)35-14-7-8-16-37(35)45-38/h1-26H
InChIKeyUUIQLWQPVVWWBH-UHFFFAOYSA-N
XLogP12.15
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.74
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-dibenzothiophen-1-ylphenyl)-N,2-diphenylbenzo[g][1,3]benzoxazol-7-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

N-(9-phenanthren-2-yldibenzothiophen-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine
CID 172508771
N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 176785597
3-dibenzothiophen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167124820
N-(3-dibenzothiophen-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 174324049
N-dibenzothiophen-3-yl-5-phenyl-N-(4-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-18-amine
CID 176631395
N,4-diphenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-9-yl)phenyl]aniline
CID 155474138
N-dibenzothiophen-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 155473862
N-(3-phenylphenyl)-N-[3-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]dibenzothiophen-1-amine
CID 171410312
N-dibenzothiophen-3-yl-N-(2-phenylphenyl)-2-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-7-amine
CID 174293832
N,2-diphenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743018
3-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939164
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine
CID 170395497

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N,2-diphenylbenzo[g][1,3]benzoxazol-7-amine?
The IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N,2-diphenylbenzo[g][1,3]benzoxazol-7-amine (CID 171410430) is N-(4-dibenzothiophen-1-ylphenyl)-N,2-diphenylbenzo[g][1,3]benzoxazol-7-amine.
What is the SMILES notation for N-(4-dibenzothiophen-1-ylphenyl)-N,2-diphenylbenzo[g][1,3]benzoxazol-7-amine?
The canonical SMILES for N-(4-dibenzothiophen-1-ylphenyl)-N,2-diphenylbenzo[g][1,3]benzoxazol-7-amine is c1ccc(-c2nc3ccc4cc(N(c5ccccc5)c5ccc(-c6cccc7sc8ccccc8c67)cc5)ccc4c3o2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-1-ylphenyl)-N,2-diphenylbenzo[g][1,3]benzoxazol-7-amine?
The InChIKey is UUIQLWQPVVWWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2OS/c1-3-10-28(11-4-1)41-42-36-25-20-29-26-32(23-24-34(29)40(36)44-41)43(30-12-5-2-6-13-30)31-21-18-27(19-22-31)33-15-9-17-38-39(33)35-14-7-8-16-37(35)45-38/h1-26H.
What are the key properties of N-(4-dibenzothiophen-1-ylphenyl)-N,2-diphenylbenzo[g][1,3]benzoxazol-7-amine?
N-(4-dibenzothiophen-1-ylphenyl)-N,2-diphenylbenzo[g][1,3]benzoxazol-7-amine has a molecular weight of 594.74 g/mol, XLogP of 12.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-1-ylphenyl)-N,2-diphenylbenzo[g][1,3]benzoxazol-7-amine is sourced from PubChem (CID 171410430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).