9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide

C28H24N4O — CID 163863733

IUPAC9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide
SMILES[H]/N=C(\N=N\[H])c1ccc2c(c1)c1ccccc1n2Cc1ccc(-c2ccc(OCC)cc2)cc1
InChIInChI=1S/C28H24N4O/c1-2-33-23-14-11-21(12-15-23)20-9-7-19(8-10-20)18-32-26-6-4-3-5-24(26)25-17-22(28(29)31-30)13-16-27(25)32/h3-17,29-30H,2,18H2,1H3/b29-28-,31-30+
InChIKeyFNUDJDKDBTYSDE-GILIAAGRSA-N
MW432.53 g/mol
LogP7.26
Rot. Bonds6

About 9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide

9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide (PubChem CID 163863733) has the molecular formula C28H24N4O and a molecular weight of 432.53 g/mol. Its IUPAC name is 9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide.

Molecular Properties

Compound Name9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide
PubChem CID163863733
Molecular FormulaC28H24N4O
Molecular Weight432.53 g/mol
Exact Mass432.20
IUPAC Name9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide
SMILES[H]/N=C(\N=N\[H])c1ccc2c(c1)c1ccccc1n2Cc1ccc(-c2ccc(OCC)cc2)cc1
InChIInChI=1S/C28H24N4O/c1-2-33-23-14-11-21(12-15-23)20-9-7-19(8-10-20)18-32-26-6-4-3-5-24(26)25-17-22(28(29)31-30)13-16-27(25)32/h3-17,29-30H,2,18H2,1H3/b29-28-,31-30+
InChIKeyFNUDJDKDBTYSDE-GILIAAGRSA-N
XLogP7.26
TPSA74.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

9-benzyl-N-iminocarbazole-3-carboximidamide
CID 142911388
9-[(4-cyanophenyl)methyl]-N-iminocarbazole-3-carboximidamide
CID 142938444
9-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide
CID 142223631
N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide
CID 142223642
(2S)-2-[[4-[[3-(N-iminocarbamimidoyl)carbazol-9-yl]methyl]benzoyl]amino]-4-oxobutanoic acid
CID 142938369
(2S)-2-[[4-[[3-(N-iminocarbamimidoyl)carbazol-9-yl]methyl]benzoyl]amino]-4-oxobutanoic acid;methanol
CID 142938368
N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide
CID 142938962
N-iminoethanimidamide;9-[(4-methylphenyl)methyl]carbazole
CID 143165525
N-imino-1-[(4-methoxyphenyl)methyl]indole-5-carboximidamide
CID 142223584
9-[(3-chlorophenyl)methyl]carbazole-3-carboximidamide
CID 142911101
9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide
CID 142223725
9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine
CID 142938358

Frequently Asked Questions

What is the IUPAC name of 9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide?
The IUPAC name of 9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide (CID 163863733) is 9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide.
What is the SMILES notation for 9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide?
The canonical SMILES for 9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide is [H]/N=C(\N=N\[H])c1ccc2c(c1)c1ccccc1n2Cc1ccc(-c2ccc(OCC)cc2)cc1.
What is the InChIKey of 9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide?
The InChIKey is FNUDJDKDBTYSDE-GILIAAGRSA-N. The full InChI is InChI=1S/C28H24N4O/c1-2-33-23-14-11-21(12-15-23)20-9-7-19(8-10-20)18-32-26-6-4-3-5-24(26)25-17-22(28(29)31-30)13-16-27(25)32/h3-17,29-30H,2,18H2,1H3/b29-28-,31-30+.
What are the key properties of 9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide?
9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide has a molecular weight of 432.53 g/mol, XLogP of 7.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide is sourced from PubChem (CID 163863733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).