3,4-bis(ethenyl)-N'-[4-[6-(5-methylindol-1-yl)dibenzofuran-2-yl]benzenecarboximidoyl]naphthalene-1-carboximidamide

C43H32N4O — CID 145083007

IUPAC3,4-bis(ethenyl)-N'-[4-[6-(5-methylindol-1-yl)dibenzofuran-2-yl]benzenecarboximidoyl]naphthalene-1-carboximidamide
SMILES[H]/N=C(\N=C(/N)c1cc(C=C)c(C=C)c2ccccc12)c1ccc(-c2ccc3oc4c(-n5ccc6cc(C)ccc65)cccc4c3c2)cc1
InChIInChI=1S/C43H32N4O/c1-4-27-24-37(34-10-7-6-9-33(34)32(27)5-2)43(45)46-42(44)29-16-14-28(15-17-29)30-18-20-40-36(25-30)35-11-8-12-39(41(35)48-40)47-22-21-31-23-26(3)13-19-38(31)47/h4-25H,1-2H2,3H3,(H3,44,45,46)
InChIKeyXEJOWKYOBOZGIW-UHFFFAOYSA-N
MW620.76 g/mol
LogP10.68
Rot. Bonds6

About 3,4-bis(ethenyl)-N'-[4-[6-(5-methylindol-1-yl)dibenzofuran-2-yl]benzenecarboximidoyl]naphthalene-1-carboximidamide

3,4-bis(ethenyl)-N'-[4-[6-(5-methylindol-1-yl)dibenzofuran-2-yl]benzenecarboximidoyl]naphthalene-1-carboximidamide (PubChem CID 145083007) has the molecular formula C43H32N4O and a molecular weight of 620.76 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-N'-[4-[6-(5-methylindol-1-yl)dibenzofuran-2-yl]benzenecarboximidoyl]naphthalene-1-carboximidamide.

Molecular Properties

Compound Name3,4-bis(ethenyl)-N'-[4-[6-(5-methylindol-1-yl)dibenzofuran-2-yl]benzenecarboximidoyl]naphthalene-1-carboximidamide
PubChem CID145083007
Molecular FormulaC43H32N4O
Molecular Weight620.76 g/mol
Exact Mass620.26
IUPAC Name3,4-bis(ethenyl)-N'-[4-[6-(5-methylindol-1-yl)dibenzofuran-2-yl]benzenecarboximidoyl]naphthalene-1-carboximidamide
SMILES[H]/N=C(\N=C(/N)c1cc(C=C)c(C=C)c2ccccc12)c1ccc(-c2ccc3oc4c(-n5ccc6cc(C)ccc65)cccc4c3c2)cc1
InChIInChI=1S/C43H32N4O/c1-4-27-24-37(34-10-7-6-9-33(34)32(27)5-2)43(45)46-42(44)29-16-14-28(15-17-29)30-18-20-40-36(25-30)35-11-8-12-39(41(35)48-40)47-22-21-31-23-26(3)13-19-38(31)47/h4-25H,1-2H2,3H3,(H3,44,45,46)
InChIKeyXEJOWKYOBOZGIW-UHFFFAOYSA-N
XLogP10.68
TPSA80.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.76
LogP ≤ 510.68
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

N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 142451988
8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene
CID 156643264
1-[8-[4-[(Z)-3-amino-3-[3-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]prop-2-enimidoyl]phenyl]dibenzothiophen-4-yl]indol-5-amine;toluene
CID 145083008
N-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene
CID 142615355
N-[amino(phenyl)methylidene]-9,9-dimethylfluorene-2-carboximidamide;1-(3-methylphenyl)-8-phenanthren-3-yldibenzofuran
CID 145447143
9,9-dimethyl-N'-[4-(8-phenanthren-9-yldibenzofuran-1-yl)benzenecarboximidoyl]fluorene-4-carboximidamide
CID 145447662
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide
CID 174023175
N-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide
CID 170131255
N-[cyclohexa-1,5-dien-1-yl-(8-methyldibenzofuran-1-yl)methylidene]-4-phenylbenzenecarboximidamide
CID 170143185
N'-(benzenecarboximidoyl)-2-carbazol-9-ylbenzenecarboximidamide
CID 142318949
8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene
CID 156643232

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-N'-[4-[6-(5-methylindol-1-yl)dibenzofuran-2-yl]benzenecarboximidoyl]naphthalene-1-carboximidamide?
The IUPAC name of 3,4-bis(ethenyl)-N'-[4-[6-(5-methylindol-1-yl)dibenzofuran-2-yl]benzenecarboximidoyl]naphthalene-1-carboximidamide (CID 145083007) is 3,4-bis(ethenyl)-N'-[4-[6-(5-methylindol-1-yl)dibenzofuran-2-yl]benzenecarboximidoyl]naphthalene-1-carboximidamide.
What is the SMILES notation for 3,4-bis(ethenyl)-N'-[4-[6-(5-methylindol-1-yl)dibenzofuran-2-yl]benzenecarboximidoyl]naphthalene-1-carboximidamide?
The canonical SMILES for 3,4-bis(ethenyl)-N'-[4-[6-(5-methylindol-1-yl)dibenzofuran-2-yl]benzenecarboximidoyl]naphthalene-1-carboximidamide is [H]/N=C(\N=C(/N)c1cc(C=C)c(C=C)c2ccccc12)c1ccc(-c2ccc3oc4c(-n5ccc6cc(C)ccc65)cccc4c3c2)cc1.
What is the InChIKey of 3,4-bis(ethenyl)-N'-[4-[6-(5-methylindol-1-yl)dibenzofuran-2-yl]benzenecarboximidoyl]naphthalene-1-carboximidamide?
The InChIKey is XEJOWKYOBOZGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N4O/c1-4-27-24-37(34-10-7-6-9-33(34)32(27)5-2)43(45)46-42(44)29-16-14-28(15-17-29)30-18-20-40-36(25-30)35-11-8-12-39(41(35)48-40)47-22-21-31-23-26(3)13-19-38(31)47/h4-25H,1-2H2,3H3,(H3,44,45,46).
What are the key properties of 3,4-bis(ethenyl)-N'-[4-[6-(5-methylindol-1-yl)dibenzofuran-2-yl]benzenecarboximidoyl]naphthalene-1-carboximidamide?
3,4-bis(ethenyl)-N'-[4-[6-(5-methylindol-1-yl)dibenzofuran-2-yl]benzenecarboximidoyl]naphthalene-1-carboximidamide has a molecular weight of 620.76 g/mol, XLogP of 10.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-N'-[4-[6-(5-methylindol-1-yl)dibenzofuran-2-yl]benzenecarboximidoyl]naphthalene-1-carboximidamide is sourced from PubChem (CID 145083007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).