N'-[1-[8-[4-methyl-3-(2-methylphenyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide

C43H36N2O — CID 144955838

IUPACN'-[1-[8-[4-methyl-3-(2-methylphenyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
SMILESC=C(/N=C(\N=C(/C)c1ccccc1)c1ccccc1)c1cccc2oc3c(c12)=CC(c1ccc(C)c(-c2ccccc2C)c1)CC=3
InChIInChI=1S/C43H36N2O/c1-28-14-11-12-19-36(28)38-26-34(23-22-29(38)2)35-24-25-40-39(27-35)42-37(20-13-21-41(42)46-40)31(4)45-43(33-17-9-6-10-18-33)44-30(3)32-15-7-5-8-16-32/h5-23,25-27,35H,4,24H2,1-3H3/b44-30+,45-43-
InChIKeyUXGARGJMOFXSRP-ONFZHFDTSA-N
MW596.77 g/mol
LogP9.39
Rot. Bonds6

About N'-[1-[8-[4-methyl-3-(2-methylphenyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide

N'-[1-[8-[4-methyl-3-(2-methylphenyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide (PubChem CID 144955838) has the molecular formula C43H36N2O and a molecular weight of 596.77 g/mol. Its IUPAC name is N'-[1-[8-[4-methyl-3-(2-methylphenyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[1-[8-[4-methyl-3-(2-methylphenyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
PubChem CID144955838
Molecular FormulaC43H36N2O
Molecular Weight596.77 g/mol
Exact Mass596.28
IUPAC NameN'-[1-[8-[4-methyl-3-(2-methylphenyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
SMILESC=C(/N=C(\N=C(/C)c1ccccc1)c1ccccc1)c1cccc2oc3c(c12)=CC(c1ccc(C)c(-c2ccccc2C)c1)CC=3
InChIInChI=1S/C43H36N2O/c1-28-14-11-12-19-36(28)38-26-34(23-22-29(38)2)35-24-25-40-39(27-35)42-37(20-13-21-41(42)46-40)31(4)45-43(33-17-9-6-10-18-33)44-30(3)32-15-7-5-8-16-32/h5-23,25-27,35H,4,24H2,1-3H3/b44-30+,45-43-
InChIKeyUXGARGJMOFXSRP-ONFZHFDTSA-N
XLogP9.39
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.77
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[8-[4-methyl-3-(3-methyl-2-pyridinyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 144956038
N'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 145007215
N'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 155691013
1-dibenzofuran-1-yl-N-[1-[3-methyl-2-(2-methylphenyl)phenyl]ethenyl]ethanimine
CID 145016899
N'-[1-(8-methyldibenzothiophen-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide;4-methyl-9H-fluorene;1-methyl-4-phenylbenzene
CID 145007171
N'-[1-[7-[N-[(1Z)-3-dibenzofuran-2-yl-2-methyl-1-(2-methylphenyl)buta-1,3-dienyl]-C-ethylcarbonimidoyl]dibenzofuran-1-yl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 163645200
3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrodibenzofuran-2-yl]-9-phenylcarbazole
CID 123309250
N'-[1-(7-carbazol-9-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylethylidene)naphthalene-2-carboximidamide
CID 170283513
9-(5,5-dioxodibenzothiophen-2-yl)-N'-(1-phenylethenyl)-N-[1-(4-phenylphenyl)ethylidene]dibenzofuran-1-carboximidamide
CID 169131863
N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide
CID 170118544
N-(1-pyridin-4-ylethylidene)-N'-[1-[2-(3-triphenylen-2-ylphenyl)phenyl]ethenyl]pyridine-4-carboximidamide
CID 166022897
N'-[1-[3-[4-[2-[4-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-3-[(1Z,3Z)-penta-1,3-dienyl]indol-1-yl]phenyl]ethenyl]-N-(1-phenylethylidene)cyclohexa-1,5-diene-1-carboximidamide
CID 145322219

Frequently Asked Questions

What is the IUPAC name of N'-[1-[8-[4-methyl-3-(2-methylphenyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide?
The IUPAC name of N'-[1-[8-[4-methyl-3-(2-methylphenyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide (CID 144955838) is N'-[1-[8-[4-methyl-3-(2-methylphenyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide.
What is the SMILES notation for N'-[1-[8-[4-methyl-3-(2-methylphenyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide?
The canonical SMILES for N'-[1-[8-[4-methyl-3-(2-methylphenyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide is C=C(/N=C(\N=C(/C)c1ccccc1)c1ccccc1)c1cccc2oc3c(c12)=CC(c1ccc(C)c(-c2ccccc2C)c1)CC=3.
What is the InChIKey of N'-[1-[8-[4-methyl-3-(2-methylphenyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide?
The InChIKey is UXGARGJMOFXSRP-ONFZHFDTSA-N. The full InChI is InChI=1S/C43H36N2O/c1-28-14-11-12-19-36(28)38-26-34(23-22-29(38)2)35-24-25-40-39(27-35)42-37(20-13-21-41(42)46-40)31(4)45-43(33-17-9-6-10-18-33)44-30(3)32-15-7-5-8-16-32/h5-23,25-27,35H,4,24H2,1-3H3/b44-30+,45-43-.
What are the key properties of N'-[1-[8-[4-methyl-3-(2-methylphenyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide?
N'-[1-[8-[4-methyl-3-(2-methylphenyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide has a molecular weight of 596.77 g/mol, XLogP of 9.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[8-[4-methyl-3-(2-methylphenyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide is sourced from PubChem (CID 144955838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).