N-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine

C34H21NS2 — CID 170040173

IUPACN-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine
SMILESc1ccc(N(c2ccc3c(ccc4sc5ccccc5c43)c2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C34H21NS2/c1-2-9-23(10-3-1)35(29-14-8-13-27-26-11-4-6-15-30(26)37-34(27)29)24-18-19-25-22(21-24)17-20-32-33(25)28-12-5-7-16-31(28)36-32/h1-21H
InChIKeyOSEVVUMGVKVVAS-UHFFFAOYSA-N
MW507.68 g/mol
LogP11.05
Rot. Bonds3

About N-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine

N-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine (PubChem CID 170040173) has the molecular formula C34H21NS2 and a molecular weight of 507.68 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine
PubChem CID170040173
Molecular FormulaC34H21NS2
Molecular Weight507.68 g/mol
Exact Mass507.11
IUPAC NameN-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine
SMILESc1ccc(N(c2ccc3c(ccc4sc5ccccc5c43)c2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C34H21NS2/c1-2-9-23(10-3-1)35(29-14-8-13-27-26-11-4-6-15-30(26)37-34(27)29)24-18-19-25-22(21-24)17-20-32-33(25)28-12-5-7-16-31(28)36-32/h1-21H
InChIKeyOSEVVUMGVKVVAS-UHFFFAOYSA-N
XLogP11.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.68
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-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

N-chrysen-2-yl-N-phenyldibenzothiophen-4-amine
CID 170130330
N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170039707
7-N-dibenzothiophen-1-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-phenanthren-2-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 159620715
N-chrysen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-4-amine
CID 170140491
N,N-diphenyl-22-thiahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-amine
CID 164721928
2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine
CID 161330703
N,N-diphenyl-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-amine;N-naphthalen-1-yl-N-phenyl-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-amine;N-naphthalen-2-yl-N-phenyl-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-amine;N-phenanthren-2-yl-N-phenyl-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-amine;N-phenanthren-3-yl-N-phenyl-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-amine
CID 165026366
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-4-amine
CID 167184037
N-chrysen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine
CID 170140492
6-N-dibenzothiophen-3-yl-4-N,4-N-diphenyl-6-N-(4-phenylphenyl)dibenzothiophene-4,6-diamine
CID 146576004
N-dibenzothiophen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine
CID 170040717
1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine
CID 146550689

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine (CID 170040173) is N-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine is c1ccc(N(c2ccc3c(ccc4sc5ccccc5c43)c2)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine?
The InChIKey is OSEVVUMGVKVVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21NS2/c1-2-9-23(10-3-1)35(29-14-8-13-27-26-11-4-6-15-30(26)37-34(27)29)24-18-19-25-22(21-24)17-20-32-33(25)28-12-5-7-16-31(28)36-32/h1-21H.
What are the key properties of N-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine?
N-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine has a molecular weight of 507.68 g/mol, XLogP of 11.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine is sourced from PubChem (CID 170040173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).