1-(1,2,3,4-tetrahydrochrysen-4-yl)acridin-3-ol;hydrochloride

C31H24ClNO — CID 174402919

IUPAC1-(1,2,3,4-tetrahydrochrysen-4-yl)acridin-3-ol;hydrochloride
SMILESCl.Oc1cc(C2CCCc3ccc4c(ccc5ccccc54)c32)c2cc3ccccc3nc2c1
InChIInChI=1S/C31H23NO.ClH/c33-22-17-27(28-16-21-7-2-4-11-29(21)32-30(28)18-22)25-10-5-8-20-13-14-24-23-9-3-1-6-19(23)12-15-26(24)31(20)25;/h1-4,6-7,9,11-18,25,33H,5,8,10H2;1H
InChIKeyUMUJMZAIXPFSOT-UHFFFAOYSA-N
MW461.99 g/mol
LogP8.29
Rot. Bonds1

About 1-(1,2,3,4-tetrahydrochrysen-4-yl)acridin-3-ol;hydrochloride

1-(1,2,3,4-tetrahydrochrysen-4-yl)acridin-3-ol;hydrochloride (PubChem CID 174402919) has the molecular formula C31H24ClNO and a molecular weight of 461.99 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydrochrysen-4-yl)acridin-3-ol;hydrochloride.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydrochrysen-4-yl)acridin-3-ol;hydrochloride
PubChem CID174402919
Molecular FormulaC31H24ClNO
Molecular Weight461.99 g/mol
Exact Mass461.15
IUPAC Name1-(1,2,3,4-tetrahydrochrysen-4-yl)acridin-3-ol;hydrochloride
SMILESCl.Oc1cc(C2CCCc3ccc4c(ccc5ccccc54)c32)c2cc3ccccc3nc2c1
InChIInChI=1S/C31H23NO.ClH/c33-22-17-27(28-16-21-7-2-4-11-29(21)32-30(28)18-22)25-10-5-8-20-13-14-24-23-9-3-1-6-19(23)12-15-26(24)31(20)25;/h1-4,6-7,9,11-18,25,33H,5,8,10H2;1H
InChIKeyUMUJMZAIXPFSOT-UHFFFAOYSA-N
XLogP8.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.99
LogP ≤ 58.29
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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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydrochrysen-4-yl)acridin-3-ol;hydrochloride?
The IUPAC name of 1-(1,2,3,4-tetrahydrochrysen-4-yl)acridin-3-ol;hydrochloride (CID 174402919) is 1-(1,2,3,4-tetrahydrochrysen-4-yl)acridin-3-ol;hydrochloride.
What is the SMILES notation for 1-(1,2,3,4-tetrahydrochrysen-4-yl)acridin-3-ol;hydrochloride?
The canonical SMILES for 1-(1,2,3,4-tetrahydrochrysen-4-yl)acridin-3-ol;hydrochloride is Cl.Oc1cc(C2CCCc3ccc4c(ccc5ccccc54)c32)c2cc3ccccc3nc2c1.
What is the InChIKey of 1-(1,2,3,4-tetrahydrochrysen-4-yl)acridin-3-ol;hydrochloride?
The InChIKey is UMUJMZAIXPFSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO.ClH/c33-22-17-27(28-16-21-7-2-4-11-29(21)32-30(28)18-22)25-10-5-8-20-13-14-24-23-9-3-1-6-19(23)12-15-26(24)31(20)25;/h1-4,6-7,9,11-18,25,33H,5,8,10H2;1H.
What are the key properties of 1-(1,2,3,4-tetrahydrochrysen-4-yl)acridin-3-ol;hydrochloride?
1-(1,2,3,4-tetrahydrochrysen-4-yl)acridin-3-ol;hydrochloride has a molecular weight of 461.99 g/mol, XLogP of 8.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydrochrysen-4-yl)acridin-3-ol;hydrochloride is sourced from PubChem (CID 174402919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).