3-[6-(3-cyanophenyl)-9-[(3-methoxyphenyl)methyl]carbazol-3-yl]benzenecarboximidamide

C34H26N4O — CID 155518850

IUPAC3-[6-(3-cyanophenyl)-9-[(3-methoxyphenyl)methyl]carbazol-3-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3Cc2cccc(OC)c2)c1
InChIInChI=1S/C34H26N4O/c1-39-29-10-3-6-23(16-29)21-38-32-13-11-26(24-7-2-5-22(15-24)20-35)18-30(32)31-19-27(12-14-33(31)38)25-8-4-9-28(17-25)34(36)37/h2-19H,21H2,1H3,(H3,36,37)
InChIKeyABWKBPAANQSPFK-UHFFFAOYSA-N
MW506.61 g/mol
LogP7.34
Rot. Bonds6

About 3-[6-(3-cyanophenyl)-9-[(3-methoxyphenyl)methyl]carbazol-3-yl]benzenecarboximidamide

3-[6-(3-cyanophenyl)-9-[(3-methoxyphenyl)methyl]carbazol-3-yl]benzenecarboximidamide (PubChem CID 155518850) has the molecular formula C34H26N4O and a molecular weight of 506.61 g/mol. Its IUPAC name is 3-[6-(3-cyanophenyl)-9-[(3-methoxyphenyl)methyl]carbazol-3-yl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[6-(3-cyanophenyl)-9-[(3-methoxyphenyl)methyl]carbazol-3-yl]benzenecarboximidamide
PubChem CID155518850
Molecular FormulaC34H26N4O
Molecular Weight506.61 g/mol
Exact Mass506.21
IUPAC Name3-[6-(3-cyanophenyl)-9-[(3-methoxyphenyl)methyl]carbazol-3-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3Cc2cccc(OC)c2)c1
InChIInChI=1S/C34H26N4O/c1-39-29-10-3-6-23(16-29)21-38-32-13-11-26(24-7-2-5-22(15-24)20-35)18-30(32)31-19-27(12-14-33(31)38)25-8-4-9-28(17-25)34(36)37/h2-19H,21H2,1H3,(H3,36,37)
InChIKeyABWKBPAANQSPFK-UHFFFAOYSA-N
XLogP7.34
TPSA87.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-cyanophenyl)-9-[(3-methoxyphenyl)methyl]carbazol-3-yl]benzenecarboximidamide?
The IUPAC name of 3-[6-(3-cyanophenyl)-9-[(3-methoxyphenyl)methyl]carbazol-3-yl]benzenecarboximidamide (CID 155518850) is 3-[6-(3-cyanophenyl)-9-[(3-methoxyphenyl)methyl]carbazol-3-yl]benzenecarboximidamide.
What is the SMILES notation for 3-[6-(3-cyanophenyl)-9-[(3-methoxyphenyl)methyl]carbazol-3-yl]benzenecarboximidamide?
The canonical SMILES for 3-[6-(3-cyanophenyl)-9-[(3-methoxyphenyl)methyl]carbazol-3-yl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3Cc2cccc(OC)c2)c1.
What is the InChIKey of 3-[6-(3-cyanophenyl)-9-[(3-methoxyphenyl)methyl]carbazol-3-yl]benzenecarboximidamide?
The InChIKey is ABWKBPAANQSPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N4O/c1-39-29-10-3-6-23(16-29)21-38-32-13-11-26(24-7-2-5-22(15-24)20-35)18-30(32)31-19-27(12-14-33(31)38)25-8-4-9-28(17-25)34(36)37/h2-19H,21H2,1H3,(H3,36,37).
What are the key properties of 3-[6-(3-cyanophenyl)-9-[(3-methoxyphenyl)methyl]carbazol-3-yl]benzenecarboximidamide?
3-[6-(3-cyanophenyl)-9-[(3-methoxyphenyl)methyl]carbazol-3-yl]benzenecarboximidamide has a molecular weight of 506.61 g/mol, XLogP of 7.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-cyanophenyl)-9-[(3-methoxyphenyl)methyl]carbazol-3-yl]benzenecarboximidamide is sourced from PubChem (CID 155518850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).