7-acridin-1-yl-7,8,9,10-tetrahydrochrysen-3-amine

C31H24N2 — CID 174716486

IUPAC7-acridin-1-yl-7,8,9,10-tetrahydrochrysen-3-amine
SMILESNc1ccc2ccc3c4c(ccc3c2c1)C(c1cccc2nc3ccccc3cc12)CCC4
InChIInChI=1S/C31H24N2/c32-21-13-11-19-12-14-25-23-7-3-6-22(26(23)15-16-27(25)28(19)18-21)24-8-4-10-31-29(24)17-20-5-1-2-9-30(20)33-31/h1-2,4-5,8-18,22H,3,6-7,32H2
InChIKeyIMURSGUGXPALKG-UHFFFAOYSA-N
MW424.55 g/mol
LogP7.74
Rot. Bonds1

About 7-acridin-1-yl-7,8,9,10-tetrahydrochrysen-3-amine

7-acridin-1-yl-7,8,9,10-tetrahydrochrysen-3-amine (PubChem CID 174716486) has the molecular formula C31H24N2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 7-acridin-1-yl-7,8,9,10-tetrahydrochrysen-3-amine.

Molecular Properties

Compound Name7-acridin-1-yl-7,8,9,10-tetrahydrochrysen-3-amine
PubChem CID174716486
Molecular FormulaC31H24N2
Molecular Weight424.55 g/mol
Exact Mass424.19
IUPAC Name7-acridin-1-yl-7,8,9,10-tetrahydrochrysen-3-amine
SMILESNc1ccc2ccc3c4c(ccc3c2c1)C(c1cccc2nc3ccccc3cc12)CCC4
InChIInChI=1S/C31H24N2/c32-21-13-11-19-12-14-25-23-7-3-6-22(26(23)15-16-27(25)28(19)18-21)24-8-4-10-31-29(24)17-20-5-1-2-9-30(20)33-31/h1-2,4-5,8-18,22H,3,6-7,32H2
InChIKeyIMURSGUGXPALKG-UHFFFAOYSA-N
XLogP7.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-acridin-1-yl-7,8,9,10-tetrahydrochrysen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acridine;7,8,9,10-tetrahydrochrysen-3-amine
CID 175372875
4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine
CID 174447083
2-(1,2,3,4-tetrahydrochrysen-1-yl)quinoline-4-carbaldehyde
CID 174596585
azane;1-(4-ethylnaphthalen-1-yl)-1,2,3,4-tetrahydrochrysene;hydrochloride
CID 175285254
acridine;acridine-3,6-diamine
CID 21276006
1-[2-bromo-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrochrysene
CID 174834129
2-(1,2,3,4-tetrahydrochrysen-1-yl)furan
CID 174587497
azane;1,2,3,4-tetrahydrochrysen-1-amine;hydrate
CID 174715110
1-(1,2,3,4-tetrahydrochrysen-4-yl)acridin-3-ol;hydrochloride
CID 174402919
naphthalen-1-ol;4-(1,2,3,4-tetrahydrochrysen-1-yl)pyridine
CID 174508021
2-[2-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-yl]but-3-enoic acid
CID 174544039
1-methyl-1,2,3,4-tetrahydrochrysene;quinoline
CID 174893501

Frequently Asked Questions

What is the IUPAC name of 7-acridin-1-yl-7,8,9,10-tetrahydrochrysen-3-amine?
The IUPAC name of 7-acridin-1-yl-7,8,9,10-tetrahydrochrysen-3-amine (CID 174716486) is 7-acridin-1-yl-7,8,9,10-tetrahydrochrysen-3-amine.
What is the SMILES notation for 7-acridin-1-yl-7,8,9,10-tetrahydrochrysen-3-amine?
The canonical SMILES for 7-acridin-1-yl-7,8,9,10-tetrahydrochrysen-3-amine is Nc1ccc2ccc3c4c(ccc3c2c1)C(c1cccc2nc3ccccc3cc12)CCC4.
What is the InChIKey of 7-acridin-1-yl-7,8,9,10-tetrahydrochrysen-3-amine?
The InChIKey is IMURSGUGXPALKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2/c32-21-13-11-19-12-14-25-23-7-3-6-22(26(23)15-16-27(25)28(19)18-21)24-8-4-10-31-29(24)17-20-5-1-2-9-30(20)33-31/h1-2,4-5,8-18,22H,3,6-7,32H2.
What are the key properties of 7-acridin-1-yl-7,8,9,10-tetrahydrochrysen-3-amine?
7-acridin-1-yl-7,8,9,10-tetrahydrochrysen-3-amine has a molecular weight of 424.55 g/mol, XLogP of 7.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acridin-1-yl-7,8,9,10-tetrahydrochrysen-3-amine is sourced from PubChem (CID 174716486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).