4-bromo-2-[(Z)-carbazol-9-yliminomethyl]phenol

C19H13BrN2O — CID 136846388

IUPAC4-bromo-2-[(Z)-carbazol-9-yliminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N\n1c2ccccc2c2ccccc21
InChIInChI=1S/C19H13BrN2O/c20-14-9-10-19(23)13(11-14)12-21-22-17-7-3-1-5-15(17)16-6-2-4-8-18(16)22/h1-12,23H/b21-12-
InChIKeyRYKVXAXJRLHLIL-MTJSOVHGSA-N
MW365.23 g/mol
LogP5.14
Rot. Bonds2

About 4-bromo-2-[(Z)-carbazol-9-yliminomethyl]phenol

4-bromo-2-[(Z)-carbazol-9-yliminomethyl]phenol (PubChem CID 136846388) has the molecular formula C19H13BrN2O and a molecular weight of 365.23 g/mol. Its IUPAC name is 4-bromo-2-[(Z)-carbazol-9-yliminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(Z)-carbazol-9-yliminomethyl]phenol
PubChem CID136846388
Molecular FormulaC19H13BrN2O
Molecular Weight365.23 g/mol
Exact Mass364.02
IUPAC Name4-bromo-2-[(Z)-carbazol-9-yliminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N\n1c2ccccc2c2ccccc21
InChIInChI=1S/C19H13BrN2O/c20-14-9-10-19(23)13(11-14)12-21-22-17-7-3-1-5-15(17)16-6-2-4-8-18(16)22/h1-12,23H/b21-12-
InChIKeyRYKVXAXJRLHLIL-MTJSOVHGSA-N
XLogP5.14
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.23
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(carbazol-9-yliminomethyl)phenol
CID 691316
4-bromo-2-[(Z)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol
CID 135844835
4-bromo-2-[(E)-[4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766508
4-bromo-2-[(E)-[[4-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 135509570
4-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 136816742
4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one
CID 135885808
2-[(Z)-(4-benzylpiperazin-1-yl)iminomethyl]-4-bromophenol
CID 135936131
4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CID 136689727
4-bromo-2-[(E)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]phenol
CID 135692380
4-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CID 135650998
4-bromo-2-[(E)-[(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 135601226
4-bromo-2-[(4-methyl-2-propan-2-ylimino-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135845894

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(Z)-carbazol-9-yliminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(Z)-carbazol-9-yliminomethyl]phenol (CID 136846388) is 4-bromo-2-[(Z)-carbazol-9-yliminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(Z)-carbazol-9-yliminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(Z)-carbazol-9-yliminomethyl]phenol is Oc1ccc(Br)cc1/C=N\n1c2ccccc2c2ccccc21.
What is the InChIKey of 4-bromo-2-[(Z)-carbazol-9-yliminomethyl]phenol?
The InChIKey is RYKVXAXJRLHLIL-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H13BrN2O/c20-14-9-10-19(23)13(11-14)12-21-22-17-7-3-1-5-15(17)16-6-2-4-8-18(16)22/h1-12,23H/b21-12-.
What are the key properties of 4-bromo-2-[(Z)-carbazol-9-yliminomethyl]phenol?
4-bromo-2-[(Z)-carbazol-9-yliminomethyl]phenol has a molecular weight of 365.23 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(Z)-carbazol-9-yliminomethyl]phenol is sourced from PubChem (CID 136846388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).