acridine;9-propylacridine

C29H24N2 — CID 146450775

IUPACacridine;9-propylacridine
SMILESCCCc1c2ccccc2nc2ccccc12.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C16H15N.C13H9N/c1-2-7-12-13-8-3-5-10-15(13)17-16-11-6-4-9-14(12)16;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h3-6,8-11H,2,7H2,1H3;1-9H
InChIKeyIDEPVPOYFDMVKN-UHFFFAOYSA-N
MW400.53 g/mol
LogP7.73
Rot. Bonds2

About acridine;9-propylacridine

acridine;9-propylacridine (PubChem CID 146450775) has the molecular formula C29H24N2 and a molecular weight of 400.53 g/mol. Its IUPAC name is acridine;9-propylacridine.

Molecular Properties

Compound Nameacridine;9-propylacridine
PubChem CID146450775
Molecular FormulaC29H24N2
Molecular Weight400.53 g/mol
Exact Mass400.19
IUPAC Nameacridine;9-propylacridine
SMILESCCCc1c2ccccc2nc2ccccc12.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C16H15N.C13H9N/c1-2-7-12-13-8-3-5-10-15(13)17-16-11-6-4-9-14(12)16;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h3-6,8-11H,2,7H2,1H3;1-9H
InChIKeyIDEPVPOYFDMVKN-UHFFFAOYSA-N
XLogP7.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-butylacridine
CID 606127
acridine;heptane
CID 158562494
acridine;ethane
CID 123684759
acridine
CID 21226281
9-(8-acridin-9-yloctyl)acridine
CID 10504492
acridine;iron
CID 158030240
acridine;sulfane
CID 159134653
acridine;dihydrate
CID 172843020
acridine;methane
CID 21324126
acridine;argon
CID 157415582
4-propylacridine
CID 609894
1-octadecylacridine
CID 87175858

Frequently Asked Questions

What is the IUPAC name of acridine;9-propylacridine?
The IUPAC name of acridine;9-propylacridine (CID 146450775) is acridine;9-propylacridine.
What is the SMILES notation for acridine;9-propylacridine?
The canonical SMILES for acridine;9-propylacridine is CCCc1c2ccccc2nc2ccccc12.c1ccc2nc3ccccc3cc2c1.
What is the InChIKey of acridine;9-propylacridine?
The InChIKey is IDEPVPOYFDMVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N.C13H9N/c1-2-7-12-13-8-3-5-10-15(13)17-16-11-6-4-9-14(12)16;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h3-6,8-11H,2,7H2,1H3;1-9H.
What are the key properties of acridine;9-propylacridine?
acridine;9-propylacridine has a molecular weight of 400.53 g/mol, XLogP of 7.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;9-propylacridine is sourced from PubChem (CID 146450775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).