N-[amino(phenyl)methylidene]-3-(2-dibenzothiophen-4-ylcarbazol-9-yl)benzenecarboximidamide

C38H26N4S — CID 170131493

IUPACN-[amino(phenyl)methylidene]-3-(2-dibenzothiophen-4-ylcarbazol-9-yl)benzenecarboximidamide
SMILES[H]/N=C(\N=C(/N)c1ccccc1)c1cccc(-n2c3ccccc3c3ccc(-c4cccc5c4sc4ccccc45)cc32)c1
InChIInChI=1S/C38H26N4S/c39-37(24-10-2-1-3-11-24)41-38(40)26-12-8-13-27(22-26)42-33-18-6-4-14-29(33)30-21-20-25(23-34(30)42)28-16-9-17-32-31-15-5-7-19-35(31)43-36(28)32/h1-23H,(H3,39,40,41)
InChIKeyVDXJUIGWBRBHJP-UHFFFAOYSA-N
MW570.72 g/mol
LogP9.55
Rot. Bonds4

About N-[amino(phenyl)methylidene]-3-(2-dibenzothiophen-4-ylcarbazol-9-yl)benzenecarboximidamide

N-[amino(phenyl)methylidene]-3-(2-dibenzothiophen-4-ylcarbazol-9-yl)benzenecarboximidamide (PubChem CID 170131493) has the molecular formula C38H26N4S and a molecular weight of 570.72 g/mol. Its IUPAC name is N-[amino(phenyl)methylidene]-3-(2-dibenzothiophen-4-ylcarbazol-9-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN-[amino(phenyl)methylidene]-3-(2-dibenzothiophen-4-ylcarbazol-9-yl)benzenecarboximidamide
PubChem CID170131493
Molecular FormulaC38H26N4S
Molecular Weight570.72 g/mol
Exact Mass570.19
IUPAC NameN-[amino(phenyl)methylidene]-3-(2-dibenzothiophen-4-ylcarbazol-9-yl)benzenecarboximidamide
SMILES[H]/N=C(\N=C(/N)c1ccccc1)c1cccc(-n2c3ccccc3c3ccc(-c4cccc5c4sc4ccccc45)cc32)c1
InChIInChI=1S/C38H26N4S/c39-37(24-10-2-1-3-11-24)41-38(40)26-12-8-13-27(22-26)42-33-18-6-4-14-29(33)30-21-20-25(23-34(30)42)28-16-9-17-32-31-15-5-7-19-35(31)43-36(28)32/h1-23H,(H3,39,40,41)
InChIKeyVDXJUIGWBRBHJP-UHFFFAOYSA-N
XLogP9.55
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.72
LogP ≤ 59.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 122492281
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
N'-(benzenecarboximidoyl)-3-[5-[9-(4-phenylphenyl)carbazol-2-yl]triphenylen-2-yl]benzenecarboximidamide
CID 145452787
2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87156373
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
2-[4-(6-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736793
3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 159869296
[3-[4-(2-dibenzothiophen-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588373
2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87156510
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103

Frequently Asked Questions

What is the IUPAC name of N-[amino(phenyl)methylidene]-3-(2-dibenzothiophen-4-ylcarbazol-9-yl)benzenecarboximidamide?
The IUPAC name of N-[amino(phenyl)methylidene]-3-(2-dibenzothiophen-4-ylcarbazol-9-yl)benzenecarboximidamide (CID 170131493) is N-[amino(phenyl)methylidene]-3-(2-dibenzothiophen-4-ylcarbazol-9-yl)benzenecarboximidamide.
What is the SMILES notation for N-[amino(phenyl)methylidene]-3-(2-dibenzothiophen-4-ylcarbazol-9-yl)benzenecarboximidamide?
The canonical SMILES for N-[amino(phenyl)methylidene]-3-(2-dibenzothiophen-4-ylcarbazol-9-yl)benzenecarboximidamide is [H]/N=C(\N=C(/N)c1ccccc1)c1cccc(-n2c3ccccc3c3ccc(-c4cccc5c4sc4ccccc45)cc32)c1.
What is the InChIKey of N-[amino(phenyl)methylidene]-3-(2-dibenzothiophen-4-ylcarbazol-9-yl)benzenecarboximidamide?
The InChIKey is VDXJUIGWBRBHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4S/c39-37(24-10-2-1-3-11-24)41-38(40)26-12-8-13-27(22-26)42-33-18-6-4-14-29(33)30-21-20-25(23-34(30)42)28-16-9-17-32-31-15-5-7-19-35(31)43-36(28)32/h1-23H,(H3,39,40,41).
What are the key properties of N-[amino(phenyl)methylidene]-3-(2-dibenzothiophen-4-ylcarbazol-9-yl)benzenecarboximidamide?
N-[amino(phenyl)methylidene]-3-(2-dibenzothiophen-4-ylcarbazol-9-yl)benzenecarboximidamide has a molecular weight of 570.72 g/mol, XLogP of 9.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(phenyl)methylidene]-3-(2-dibenzothiophen-4-ylcarbazol-9-yl)benzenecarboximidamide is sourced from PubChem (CID 170131493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).