2-acridin-1-yl-1-heptylacridine

C33H30N2 — CID 164897649

IUPAC2-acridin-1-yl-1-heptylacridine
SMILESCCCCCCCc1c(-c2cccc3nc4ccccc4cc23)ccc2nc3ccccc3cc12
InChIInChI=1S/C33H30N2/c1-2-3-4-5-6-14-25-27(19-20-33-29(25)22-24-13-8-10-17-31(24)35-33)26-15-11-18-32-28(26)21-23-12-7-9-16-30(23)34-32/h7-13,15-22H,2-6,14H2,1H3
InChIKeyFPWYDMRJQZBYNE-UHFFFAOYSA-N
MW454.62 g/mol
LogP9.27
Rot. Bonds7

About 2-acridin-1-yl-1-heptylacridine

2-acridin-1-yl-1-heptylacridine (PubChem CID 164897649) has the molecular formula C33H30N2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 2-acridin-1-yl-1-heptylacridine.

Molecular Properties

Compound Name2-acridin-1-yl-1-heptylacridine
PubChem CID164897649
Molecular FormulaC33H30N2
Molecular Weight454.62 g/mol
Exact Mass454.24
IUPAC Name2-acridin-1-yl-1-heptylacridine
SMILESCCCCCCCc1c(-c2cccc3nc4ccccc4cc23)ccc2nc3ccccc3cc12
InChIInChI=1S/C33H30N2/c1-2-3-4-5-6-14-25-27(19-20-33-29(25)22-24-13-8-10-17-31(24)35-33)26-15-11-18-32-28(26)21-23-12-7-9-16-30(23)34-32/h7-13,15-22H,2-6,14H2,1H3
InChIKeyFPWYDMRJQZBYNE-UHFFFAOYSA-N
XLogP9.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-octadecylacridine
CID 87175858
1-hexadecylacridine;hydrochloride
CID 172754650
acridine;heptane
CID 158562494
5,20-dioctylheptacyclo[16.12.0.03,16.04,13.06,12.019,28.021,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 175687140
1-decoxyacridine
CID 159660851
3-hexylacridine
CID 21394642
acridin-1-yl(pentyl)phosphane
CID 174995472
9-butylacridine
CID 606127
2-(1-heptylnaphthalen-2-yl)-1H-benzimidazole
CID 175558327
acridine;9-propylacridine
CID 146450775
4-hexyl-2-methylquinoline
CID 12861362
3-octylquinolin-2-amine
CID 23131231

Frequently Asked Questions

What is the IUPAC name of 2-acridin-1-yl-1-heptylacridine?
The IUPAC name of 2-acridin-1-yl-1-heptylacridine (CID 164897649) is 2-acridin-1-yl-1-heptylacridine.
What is the SMILES notation for 2-acridin-1-yl-1-heptylacridine?
The canonical SMILES for 2-acridin-1-yl-1-heptylacridine is CCCCCCCc1c(-c2cccc3nc4ccccc4cc23)ccc2nc3ccccc3cc12.
What is the InChIKey of 2-acridin-1-yl-1-heptylacridine?
The InChIKey is FPWYDMRJQZBYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2/c1-2-3-4-5-6-14-25-27(19-20-33-29(25)22-24-13-8-10-17-31(24)35-33)26-15-11-18-32-28(26)21-23-12-7-9-16-30(23)34-32/h7-13,15-22H,2-6,14H2,1H3.
What are the key properties of 2-acridin-1-yl-1-heptylacridine?
2-acridin-1-yl-1-heptylacridine has a molecular weight of 454.62 g/mol, XLogP of 9.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acridin-1-yl-1-heptylacridine is sourced from PubChem (CID 164897649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).