N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine

C44H27NS2 — CID 170039130

IUPACN-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc5sc6ccccc6c5c4)c4ccc5ccc6sc7ccccc7c6c5c4)cc3)cccc2c1
InChIInChI=1S/C44H27NS2/c1-2-10-34-28(8-1)9-7-13-35(34)29-16-20-31(21-17-29)45(33-23-25-42-39(27-33)36-11-3-5-14-40(36)46-42)32-22-18-30-19-24-43-44(38(30)26-32)37-12-4-6-15-41(37)47-43/h1-27H
InChIKeyUYJGKYHIJIWUNK-UHFFFAOYSA-N
MW633.84 g/mol
LogP13.87
Rot. Bonds4

About N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine

N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine (PubChem CID 170039130) has the molecular formula C44H27NS2 and a molecular weight of 633.84 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
PubChem CID170039130
Molecular FormulaC44H27NS2
Molecular Weight633.84 g/mol
Exact Mass633.16
IUPAC NameN-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc5sc6ccccc6c5c4)c4ccc5ccc6sc7ccccc7c6c5c4)cc3)cccc2c1
InChIInChI=1S/C44H27NS2/c1-2-10-34-28(8-1)9-7-13-35(34)29-16-20-31(21-17-29)45(33-23-25-42-39(27-33)36-11-3-5-14-40(36)46-42)32-22-18-30-19-24-43-44(38(30)26-32)37-12-4-6-15-41(37)47-43/h1-27H
InChIKeyUYJGKYHIJIWUNK-UHFFFAOYSA-N
XLogP13.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.84
LogP ≤ 513.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-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-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzothiol-2-yl-N-phenylaniline
CID 170036987
N-phenyl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-2-amine
CID 170037124
9-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine
CID 166055432
N-phenanthren-3-yl-N-(4-phenanthren-1-ylphenyl)dibenzothiophen-3-amine
CID 168809970
N-chrysen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 170130743
3-dibenzothiophen-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767039
7-N-dibenzothiophen-2-yl-7-N-(4-dibenzothiophen-4-ylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(4-dibenzothiophen-4-ylphenyl)-7-N-(4-naphthalen-1-ylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 157139417
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-2-amine
CID 167184166
3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639
N-[4-(6-chloronaphthalen-1-yl)phenyl]-N-phenyldibenzothiophen-2-amine
CID 166917856
N-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-2-amine
CID 170037216
N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-phenylphenanthren-3-amine
CID 165003854

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine (CID 170039130) is N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine is c1ccc2c(-c3ccc(N(c4ccc5sc6ccccc6c5c4)c4ccc5ccc6sc7ccccc7c6c5c4)cc3)cccc2c1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine?
The InChIKey is UYJGKYHIJIWUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NS2/c1-2-10-34-28(8-1)9-7-13-35(34)29-16-20-31(21-17-29)45(33-23-25-42-39(27-33)36-11-3-5-14-40(36)46-42)32-22-18-30-19-24-43-44(38(30)26-32)37-12-4-6-15-41(37)47-43/h1-27H.
What are the key properties of N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine?
N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine has a molecular weight of 633.84 g/mol, XLogP of 13.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine is sourced from PubChem (CID 170039130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).