N'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide

C45H29N3O2S — CID 170145480

IUPACN'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide
SMILESN/C(=N\C(=N/Cc1cccc2oc3ccc(-c4cccc5c4sc4ccccc45)cc3c12)c1ccccc1)c1cccc2oc3ccccc3c12
InChIInChI=1S/C45H29N3O2S/c46-44(34-18-10-21-39-42(34)33-15-4-6-19-36(33)49-39)48-45(27-11-2-1-3-12-27)47-26-29-13-8-20-38-41(29)35-25-28(23-24-37(35)50-38)30-16-9-17-32-31-14-5-7-22-40(31)51-43(30)32/h1-25H,26H2,(H2,46,47,48)
InChIKeyZXLYLFQOROIMFR-UHFFFAOYSA-N
MW675.81 g/mol
LogP11.87
Rot. Bonds5

About N'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide

N'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide (PubChem CID 170145480) has the molecular formula C45H29N3O2S and a molecular weight of 675.81 g/mol. Its IUPAC name is N'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide.

Molecular Properties

Compound NameN'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide
PubChem CID170145480
Molecular FormulaC45H29N3O2S
Molecular Weight675.81 g/mol
Exact Mass675.20
IUPAC NameN'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide
SMILESN/C(=N\C(=N/Cc1cccc2oc3ccc(-c4cccc5c4sc4ccccc45)cc3c12)c1ccccc1)c1cccc2oc3ccccc3c12
InChIInChI=1S/C45H29N3O2S/c46-44(34-18-10-21-39-42(34)33-15-4-6-19-36(33)49-39)48-45(27-11-2-1-3-12-27)47-26-29-13-8-20-38-41(29)35-25-28(23-24-37(35)50-38)30-16-9-17-32-31-14-5-7-22-40(31)51-43(30)32/h1-25H,26H2,(H2,46,47,48)
InChIKeyZXLYLFQOROIMFR-UHFFFAOYSA-N
XLogP11.87
TPSA77.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.81
LogP ≤ 511.87
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 N'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-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

N'-[N-(dibenzothiophen-4-ylmethyl)-C-phenylcarbonimidoyl]-4,8-diphenyldibenzofuran-1-carboximidamide
CID 153340749
N'-[N-[(8-dibenzofuran-4-yldibenzothiophen-4-yl)methyl]-C-phenylcarbonimidoyl]dibenzothiophene-4-carboximidamide
CID 146542421
N'-[N-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 166988217
8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide
CID 156643243
2-dibenzothiophen-4-yldibenzofuran
CID 137466632
N-[amino(phenyl)methylidene]-N'-[[4-dibenzothiophen-4-yl-2-(1,3,4,5,6,8-hexahydroxycarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide
CID 174281783
N'-[C-naphthalen-2-yl-N-[[8-(3-phenylphenyl)dibenzofuran-1-yl]methyl]carbonimidoyl]dibenzofuran-3-carboximidamide
CID 170246169
N-methylidene-N'-[[8-[2-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methyl]dibenzofuran-2-carboximidamide
CID 145447260
N'-[N-[[8-(6-carbazol-9-yldibenzothiophen-1-yl)dibenzofuran-1-yl]methyl]-C-[(3E)-hexa-1,3,5-trien-3-yl]carbonimidoyl]-9-phenylcarbazole-3-carboximidamide
CID 156643151
N'-[(8-hydroxydibenzofuran-1-yl)methyl]benzenecarboximidamide
CID 153369404
5-(10-dibenzothiophen-4-yl-2-naphthalen-1-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 163526877
2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 139549065

Frequently Asked Questions

What is the IUPAC name of N'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide?
The IUPAC name of N'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide (CID 170145480) is N'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide.
What is the SMILES notation for N'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide?
The canonical SMILES for N'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide is N/C(=N\C(=N/Cc1cccc2oc3ccc(-c4cccc5c4sc4ccccc45)cc3c12)c1ccccc1)c1cccc2oc3ccccc3c12.
What is the InChIKey of N'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide?
The InChIKey is ZXLYLFQOROIMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O2S/c46-44(34-18-10-21-39-42(34)33-15-4-6-19-36(33)49-39)48-45(27-11-2-1-3-12-27)47-26-29-13-8-20-38-41(29)35-25-28(23-24-37(35)50-38)30-16-9-17-32-31-14-5-7-22-40(31)51-43(30)32/h1-25H,26H2,(H2,46,47,48).
What are the key properties of N'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide?
N'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide has a molecular weight of 675.81 g/mol, XLogP of 11.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N-[(8-dibenzothiophen-4-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]dibenzofuran-1-carboximidamide is sourced from PubChem (CID 170145480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).