4-tert-butyl-2,6-bis[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol

C30H28N6O — CID 136718412

IUPAC4-tert-butyl-2,6-bis[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol
SMILESCC(C)(C)c1cc(/C=N\Nc2ccc3ccccc3n2)c(O)c(/C=N\Nc2ccc3ccccc3n2)c1
InChIInChI=1S/C30H28N6O/c1-30(2,3)24-16-22(18-31-35-27-14-12-20-8-4-6-10-25(20)33-27)29(37)23(17-24)19-32-36-28-15-13-21-9-5-7-11-26(21)34-28/h4-19,37H,1-3H3,(H,33,35)(H,34,36)/b31-18-,32-19-
InChIKeyKKISYFASUYSQQX-HEZNUULDSA-N
MW488.60 g/mol
LogP6.68
Rot. Bonds6

About 4-tert-butyl-2,6-bis[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol

4-tert-butyl-2,6-bis[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 136718412) has the molecular formula C30H28N6O and a molecular weight of 488.60 g/mol. Its IUPAC name is 4-tert-butyl-2,6-bis[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2,6-bis[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol
PubChem CID136718412
Molecular FormulaC30H28N6O
Molecular Weight488.60 g/mol
Exact Mass488.23
IUPAC Name4-tert-butyl-2,6-bis[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol
SMILESCC(C)(C)c1cc(/C=N\Nc2ccc3ccccc3n2)c(O)c(/C=N\Nc2ccc3ccccc3n2)c1
InChIInChI=1S/C30H28N6O/c1-30(2,3)24-16-22(18-31-35-27-14-12-20-8-4-6-10-25(20)33-27)29(37)23(17-24)19-32-36-28-15-13-21-9-5-7-11-26(21)34-28/h4-19,37H,1-3H3,(H,33,35)(H,34,36)/b31-18-,32-19-
InChIKeyKKISYFASUYSQQX-HEZNUULDSA-N
XLogP6.68
TPSA94.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.60
LogP ≤ 56.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(1-(quinolin-2(1H)-ylidenehydrazono)ethyl)phenol
CID 135443554
1-(2-Hydroxyphenyl)ethanone 2-quinolinylhydrazone
CID 297344
2-Hydroxybenzaldehyde methyl(2-quinolinyl)hydrazone
CID 297345
4-[(E)-[(3-benzylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 136203708
4-Hydroxybenzaldehyde (3,7-dimethyl-2-quinolinyl)hydrazone
CID 135504347
4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 135527016
4-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135468562
2-[(E)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol
CID 135614725
2-[(E)-[methyl(2-quinolyl)hydrazono]methyl]phenol
CID 135443555
2-{(E)-[2-(quinolin-2-yl)hydrazinylidene]methyl}phenol
CID 135443608
2-[(Z)-C-methyl-N-(quinolin-2-ylamino)carbonimidoyl]phenol
CID 135485447
2-[(Z)-[methyl(quinolin-2-yl)hydrazinylidene]methyl]phenol
CID 135485448

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-bis[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-tert-butyl-2,6-bis[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol (CID 136718412) is 4-tert-butyl-2,6-bis[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-tert-butyl-2,6-bis[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-tert-butyl-2,6-bis[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol is CC(C)(C)c1cc(/C=N\Nc2ccc3ccccc3n2)c(O)c(/C=N\Nc2ccc3ccccc3n2)c1.
What is the InChIKey of 4-tert-butyl-2,6-bis[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is KKISYFASUYSQQX-HEZNUULDSA-N. The full InChI is InChI=1S/C30H28N6O/c1-30(2,3)24-16-22(18-31-35-27-14-12-20-8-4-6-10-25(20)33-27)29(37)23(17-24)19-32-36-28-15-13-21-9-5-7-11-26(21)34-28/h4-19,37H,1-3H3,(H,33,35)(H,34,36)/b31-18-,32-19-.
What are the key properties of 4-tert-butyl-2,6-bis[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol?
4-tert-butyl-2,6-bis[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 488.60 g/mol, XLogP of 6.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-bis[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 136718412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).