4-benzo[c]acridin-5-ylphenol

C23H15NO — CID 166444002

IUPAC4-benzo[c]acridin-5-ylphenol
SMILESOc1ccc(-c2cc3cc4ccccc4nc3c3ccccc23)cc1
InChIInChI=1S/C23H15NO/c25-18-11-9-15(10-12-18)21-14-17-13-16-5-1-4-8-22(16)24-23(17)20-7-3-2-6-19(20)21/h1-14,25H
InChIKeyPHWKZHUEYDXEAR-UHFFFAOYSA-N
MW321.38 g/mol
LogP5.91
Rot. Bonds1

About 4-benzo[c]acridin-5-ylphenol

4-benzo[c]acridin-5-ylphenol (PubChem CID 166444002) has the molecular formula C23H15NO and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-benzo[c]acridin-5-ylphenol.

Molecular Properties

Compound Name4-benzo[c]acridin-5-ylphenol
PubChem CID166444002
Molecular FormulaC23H15NO
Molecular Weight321.38 g/mol
Exact Mass321.12
IUPAC Name4-benzo[c]acridin-5-ylphenol
SMILESOc1ccc(-c2cc3cc4ccccc4nc3c3ccccc23)cc1
InChIInChI=1S/C23H15NO/c25-18-11-9-15(10-12-18)21-14-17-13-16-5-1-4-8-22(16)24-23(17)20-7-3-2-6-19(20)21/h1-14,25H
InChIKeyPHWKZHUEYDXEAR-UHFFFAOYSA-N
XLogP5.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Tan-67
CID 9950038
(1S,14R,15R)-25-(cyclopropylmethyl)-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-20-ol
CID 23642304
(1S,14R,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-20-ol
CID 44467662
(1S,14R,15R)-25-(2-methylpropyl)-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-20-ol
CID 45270599
9-(4-Hydroxyphenyl)-2,7-Phenanthroline
CID 447874
2-[2-(2-Quinolinyl)ethenyl]phenol
CID 2864430
3-[(4Ar,12aS)-2-methyl-1,3,4,5,12,12a-hexahydropyrido[3,4-b]acridin-4a-yl]phenol
CID 9911115
2-(4-Hydroxyphenyl)-4-vinylquinolin-6-ol
CID 135409729
4-[(E)-2-(quinolin-2-yl)ethenyl]phenol
CID 135408526
3-Acridinol
CID 135611794
3-Hydroxy-5-(2-methylquinolin-7-yl)benzonitrile
CID 44432687
Quininib
CID 135411330

Frequently Asked Questions

What is the IUPAC name of 4-benzo[c]acridin-5-ylphenol?
The IUPAC name of 4-benzo[c]acridin-5-ylphenol (CID 166444002) is 4-benzo[c]acridin-5-ylphenol.
What is the SMILES notation for 4-benzo[c]acridin-5-ylphenol?
The canonical SMILES for 4-benzo[c]acridin-5-ylphenol is Oc1ccc(-c2cc3cc4ccccc4nc3c3ccccc23)cc1.
What is the InChIKey of 4-benzo[c]acridin-5-ylphenol?
The InChIKey is PHWKZHUEYDXEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO/c25-18-11-9-15(10-12-18)21-14-17-13-16-5-1-4-8-22(16)24-23(17)20-7-3-2-6-19(20)21/h1-14,25H.
What are the key properties of 4-benzo[c]acridin-5-ylphenol?
4-benzo[c]acridin-5-ylphenol has a molecular weight of 321.38 g/mol, XLogP of 5.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzo[c]acridin-5-ylphenol is sourced from PubChem (CID 166444002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).