(NZ)-N-[amino(phenyl)methylidene]-N'-(dibenzofuran-2-ylmethyl)-[1]benzothiolo[2,3-a]carbazole-12-carboximidamide

C39H26N4OS — CID 144564777

IUPAC(NZ)-N-[amino(phenyl)methylidene]-N'-(dibenzofuran-2-ylmethyl)-[1]benzothiolo[2,3-a]carbazole-12-carboximidamide
SMILESN/C(=N\C(=N/Cc1ccc2oc3ccccc3c2c1)n1c2ccccc2c2ccc3c4ccccc4sc3c21)c1ccccc1
InChIInChI=1S/C39H26N4OS/c40-38(25-10-2-1-3-11-25)42-39(41-23-24-18-21-34-31(22-24)27-13-5-8-16-33(27)44-34)43-32-15-7-4-12-26(32)29-19-20-30-28-14-6-9-17-35(28)45-37(30)36(29)43/h1-22H,23H2,(H2,40,41,42)
InChIKeyCBEBQOCAKSGUOY-UHFFFAOYSA-N
MW598.73 g/mol
LogP9.87
Rot. Bonds3

About (NZ)-N-[amino(phenyl)methylidene]-N'-(dibenzofuran-2-ylmethyl)-[1]benzothiolo[2,3-a]carbazole-12-carboximidamide

(NZ)-N-[amino(phenyl)methylidene]-N'-(dibenzofuran-2-ylmethyl)-[1]benzothiolo[2,3-a]carbazole-12-carboximidamide (PubChem CID 144564777) has the molecular formula C39H26N4OS and a molecular weight of 598.73 g/mol. Its IUPAC name is (NZ)-N-[amino(phenyl)methylidene]-N'-(dibenzofuran-2-ylmethyl)-[1]benzothiolo[2,3-a]carbazole-12-carboximidamide.

Molecular Properties

Compound Name(NZ)-N-[amino(phenyl)methylidene]-N'-(dibenzofuran-2-ylmethyl)-[1]benzothiolo[2,3-a]carbazole-12-carboximidamide
PubChem CID144564777
Molecular FormulaC39H26N4OS
Molecular Weight598.73 g/mol
Exact Mass598.18
IUPAC Name(NZ)-N-[amino(phenyl)methylidene]-N'-(dibenzofuran-2-ylmethyl)-[1]benzothiolo[2,3-a]carbazole-12-carboximidamide
SMILESN/C(=N\C(=N/Cc1ccc2oc3ccccc3c2c1)n1c2ccccc2c2ccc3c4ccccc4sc3c21)c1ccccc1
InChIInChI=1S/C39H26N4OS/c40-38(25-10-2-1-3-11-25)42-39(41-23-24-18-21-34-31(22-24)27-13-5-8-16-33(27)44-34)43-32-15-7-4-12-26(32)29-19-20-30-28-14-6-9-17-35(28)45-37(30)36(29)43/h1-22H,23H2,(H2,40,41,42)
InChIKeyCBEBQOCAKSGUOY-UHFFFAOYSA-N
XLogP9.87
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.73
LogP ≤ 59.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (NZ)-N-[amino(phenyl)methylidene]-N'-(dibenzofuran-2-ylmethyl)-[1]benzothiolo[2,3-a]carbazole-12-carboximidamide 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

12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 90085630
N'-[N-[[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 170135017
N'-[N-[[8-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)dibenzofuran-3-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 178110430
8-[2-([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[(methylideneamino)methyl]phenyl]dibenzofuran-2-carbonitrile
CID 166988979
N-[amino(phenyl)methylidene]-N'-[[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]methyl]-3-phenylbenzenecarboximidamide
CID 170135042
N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide
CID 162363127
12-[6-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-[1]benzothiolo[2,3-a]carbazole
CID 156574969
N'-(N-benzyl-C-phenylcarbonimidoyl)-17-phenyl-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene-23-carboximidamide;bis(prop-1-ene)
CID 144661694
1-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534650
N'-[1-[8-([1]benzothiolo[2,3-a]carbazol-12-yl)dibenzofuran-1-yl]propyl]-N-[1-(3,5-diphenylphenyl)propylidene]benzenecarboximidamide
CID 145007034
2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole
CID 90348701
8-dibenzofuran-2-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827969

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[amino(phenyl)methylidene]-N'-(dibenzofuran-2-ylmethyl)-[1]benzothiolo[2,3-a]carbazole-12-carboximidamide?
The IUPAC name of (NZ)-N-[amino(phenyl)methylidene]-N'-(dibenzofuran-2-ylmethyl)-[1]benzothiolo[2,3-a]carbazole-12-carboximidamide (CID 144564777) is (NZ)-N-[amino(phenyl)methylidene]-N'-(dibenzofuran-2-ylmethyl)-[1]benzothiolo[2,3-a]carbazole-12-carboximidamide.
What is the SMILES notation for (NZ)-N-[amino(phenyl)methylidene]-N'-(dibenzofuran-2-ylmethyl)-[1]benzothiolo[2,3-a]carbazole-12-carboximidamide?
The canonical SMILES for (NZ)-N-[amino(phenyl)methylidene]-N'-(dibenzofuran-2-ylmethyl)-[1]benzothiolo[2,3-a]carbazole-12-carboximidamide is N/C(=N\C(=N/Cc1ccc2oc3ccccc3c2c1)n1c2ccccc2c2ccc3c4ccccc4sc3c21)c1ccccc1.
What is the InChIKey of (NZ)-N-[amino(phenyl)methylidene]-N'-(dibenzofuran-2-ylmethyl)-[1]benzothiolo[2,3-a]carbazole-12-carboximidamide?
The InChIKey is CBEBQOCAKSGUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4OS/c40-38(25-10-2-1-3-11-25)42-39(41-23-24-18-21-34-31(22-24)27-13-5-8-16-33(27)44-34)43-32-15-7-4-12-26(32)29-19-20-30-28-14-6-9-17-35(28)45-37(30)36(29)43/h1-22H,23H2,(H2,40,41,42).
What are the key properties of (NZ)-N-[amino(phenyl)methylidene]-N'-(dibenzofuran-2-ylmethyl)-[1]benzothiolo[2,3-a]carbazole-12-carboximidamide?
(NZ)-N-[amino(phenyl)methylidene]-N'-(dibenzofuran-2-ylmethyl)-[1]benzothiolo[2,3-a]carbazole-12-carboximidamide has a molecular weight of 598.73 g/mol, XLogP of 9.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[amino(phenyl)methylidene]-N'-(dibenzofuran-2-ylmethyl)-[1]benzothiolo[2,3-a]carbazole-12-carboximidamide is sourced from PubChem (CID 144564777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).