N-dibenzothiophen-3-yl-N-phenyl-[1]benzothiolo[3,2-b][1]benzofuran-2-amine

C32H19NOS2 — CID 155135327

IUPACN-dibenzothiophen-3-yl-N-phenyl-[1]benzothiolo[3,2-b][1]benzofuran-2-amine
SMILESc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2c4ccccc4oc32)cc1
InChIInChI=1S/C32H19NOS2/c1-2-8-20(9-3-1)33(21-14-16-24-23-10-5-7-13-28(23)35-29(24)18-21)22-15-17-26-30(19-22)36-32-25-11-4-6-12-27(25)34-31(26)32/h1-19H
InChIKeyBYHGTNOGZDQQDX-UHFFFAOYSA-N
MW497.64 g/mol
LogP10.64
Rot. Bonds3

About N-dibenzothiophen-3-yl-N-phenyl-[1]benzothiolo[3,2-b][1]benzofuran-2-amine

N-dibenzothiophen-3-yl-N-phenyl-[1]benzothiolo[3,2-b][1]benzofuran-2-amine (PubChem CID 155135327) has the molecular formula C32H19NOS2 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-phenyl-[1]benzothiolo[3,2-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-phenyl-[1]benzothiolo[3,2-b][1]benzofuran-2-amine
PubChem CID155135327
Molecular FormulaC32H19NOS2
Molecular Weight497.64 g/mol
Exact Mass497.09
IUPAC NameN-dibenzothiophen-3-yl-N-phenyl-[1]benzothiolo[3,2-b][1]benzofuran-2-amine
SMILESc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2c4ccccc4oc32)cc1
InChIInChI=1S/C32H19NOS2/c1-2-8-20(9-3-1)33(21-14-16-24-23-10-5-7-13-28(23)35-29(24)18-21)22-15-17-26-30(19-22)36-32-25-11-4-6-12-27(25)34-31(26)32/h1-19H
InChIKeyBYHGTNOGZDQQDX-UHFFFAOYSA-N
XLogP10.64
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-dibenzothiophen-3-yl-N-phenyl-[1]benzothiolo[3,2-b][1]benzofuran-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

1-N-dibenzothiophen-3-yl-1-N,8-N,8-N-triphenyldibenzofuran-1,8-diamine
CID 146573630
7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine
CID 166917120
2-N-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)-7-N,7-N-diphenyl-2-N-[3-(N-phenylanilino)phenyl]dibenzothiophene-2,7-diamine
CID 171417009
3-N-dibenzothiophen-3-yl-3-N,6-N,6-N-triphenyldibenzofuran-3,6-diamine
CID 146574170
8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine
CID 170235194
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 129194325
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 146573933
6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine
CID 167208628
N-dibenzothiophen-3-yl-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170779092

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-phenyl-[1]benzothiolo[3,2-b][1]benzofuran-2-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-phenyl-[1]benzothiolo[3,2-b][1]benzofuran-2-amine (CID 155135327) is N-dibenzothiophen-3-yl-N-phenyl-[1]benzothiolo[3,2-b][1]benzofuran-2-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-phenyl-[1]benzothiolo[3,2-b][1]benzofuran-2-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-phenyl-[1]benzothiolo[3,2-b][1]benzofuran-2-amine is c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2c4ccccc4oc32)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-phenyl-[1]benzothiolo[3,2-b][1]benzofuran-2-amine?
The InChIKey is BYHGTNOGZDQQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19NOS2/c1-2-8-20(9-3-1)33(21-14-16-24-23-10-5-7-13-28(23)35-29(24)18-21)22-15-17-26-30(19-22)36-32-25-11-4-6-12-27(25)34-31(26)32/h1-19H.
What are the key properties of N-dibenzothiophen-3-yl-N-phenyl-[1]benzothiolo[3,2-b][1]benzofuran-2-amine?
N-dibenzothiophen-3-yl-N-phenyl-[1]benzothiolo[3,2-b][1]benzofuran-2-amine has a molecular weight of 497.64 g/mol, XLogP of 10.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N-phenyl-[1]benzothiolo[3,2-b][1]benzofuran-2-amine is sourced from PubChem (CID 155135327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).