(Z)-N'-[6-(carbazol-9-ylmethyl)cyclohexa-1,5-dien-1-yl]-2-methylidenepent-3-enimidamide

C25H25N3 — CID 143224433

IUPAC(Z)-N'-[6-(carbazol-9-ylmethyl)cyclohexa-1,5-dien-1-yl]-2-methylidenepent-3-enimidamide
SMILESC=C(/C=C\C)/C(N)=N\C1=CCCC=C1Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C25H25N3/c1-3-10-18(2)25(26)27-22-14-7-4-11-19(22)17-28-23-15-8-5-12-20(23)21-13-6-9-16-24(21)28/h3,5-6,8-16H,2,4,7,17H2,1H3,(H2,26,27)/b10-3-
InChIKeyCYOWTBHWEJYBJS-KMKOMSMNSA-N
MW367.50 g/mol
LogP5.89
Rot. Bonds5

About (Z)-N'-[6-(carbazol-9-ylmethyl)cyclohexa-1,5-dien-1-yl]-2-methylidenepent-3-enimidamide

(Z)-N'-[6-(carbazol-9-ylmethyl)cyclohexa-1,5-dien-1-yl]-2-methylidenepent-3-enimidamide (PubChem CID 143224433) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is (Z)-N'-[6-(carbazol-9-ylmethyl)cyclohexa-1,5-dien-1-yl]-2-methylidenepent-3-enimidamide.

Molecular Properties

Compound Name(Z)-N'-[6-(carbazol-9-ylmethyl)cyclohexa-1,5-dien-1-yl]-2-methylidenepent-3-enimidamide
PubChem CID143224433
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC Name(Z)-N'-[6-(carbazol-9-ylmethyl)cyclohexa-1,5-dien-1-yl]-2-methylidenepent-3-enimidamide
SMILESC=C(/C=C\C)/C(N)=N\C1=CCCC=C1Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C25H25N3/c1-3-10-18(2)25(26)27-22-14-7-4-11-19(22)17-28-23-15-8-5-12-20(23)21-13-6-9-16-24(21)28/h3,5-6,8-16H,2,4,7,17H2,1H3,(H2,26,27)/b10-3-
InChIKeyCYOWTBHWEJYBJS-KMKOMSMNSA-N
XLogP5.89
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[6-(carbazol-9-ylmethyl)cyclohexa-1,5-dien-1-yl]-2-methylidenepent-3-enimidamide?
The IUPAC name of (Z)-N'-[6-(carbazol-9-ylmethyl)cyclohexa-1,5-dien-1-yl]-2-methylidenepent-3-enimidamide (CID 143224433) is (Z)-N'-[6-(carbazol-9-ylmethyl)cyclohexa-1,5-dien-1-yl]-2-methylidenepent-3-enimidamide.
What is the SMILES notation for (Z)-N'-[6-(carbazol-9-ylmethyl)cyclohexa-1,5-dien-1-yl]-2-methylidenepent-3-enimidamide?
The canonical SMILES for (Z)-N'-[6-(carbazol-9-ylmethyl)cyclohexa-1,5-dien-1-yl]-2-methylidenepent-3-enimidamide is C=C(/C=C\C)/C(N)=N\C1=CCCC=C1Cn1c2ccccc2c2ccccc21.
What is the InChIKey of (Z)-N'-[6-(carbazol-9-ylmethyl)cyclohexa-1,5-dien-1-yl]-2-methylidenepent-3-enimidamide?
The InChIKey is CYOWTBHWEJYBJS-KMKOMSMNSA-N. The full InChI is InChI=1S/C25H25N3/c1-3-10-18(2)25(26)27-22-14-7-4-11-19(22)17-28-23-15-8-5-12-20(23)21-13-6-9-16-24(21)28/h3,5-6,8-16H,2,4,7,17H2,1H3,(H2,26,27)/b10-3-.
What are the key properties of (Z)-N'-[6-(carbazol-9-ylmethyl)cyclohexa-1,5-dien-1-yl]-2-methylidenepent-3-enimidamide?
(Z)-N'-[6-(carbazol-9-ylmethyl)cyclohexa-1,5-dien-1-yl]-2-methylidenepent-3-enimidamide has a molecular weight of 367.50 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[6-(carbazol-9-ylmethyl)cyclohexa-1,5-dien-1-yl]-2-methylidenepent-3-enimidamide is sourced from PubChem (CID 143224433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).