9-(9-acridin-9-ylnonan-4-yl)acridine

C35H34N2 — CID 172740740

IUPAC9-(9-acridin-9-ylnonan-4-yl)acridine
SMILESCCCC(CCCCCc1c2ccccc2nc2ccccc12)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C35H34N2/c1-2-14-25(35-29-19-8-12-23-33(29)37-34-24-13-9-20-30(34)35)15-4-3-5-16-26-27-17-6-10-21-31(27)36-32-22-11-7-18-28(26)32/h6-13,17-25H,2-5,14-16H2,1H3
InChIKeyJBISJCAOXZOECQ-UHFFFAOYSA-N
MW482.67 g/mol
LogP9.78
Rot. Bonds9

About 9-(9-acridin-9-ylnonan-4-yl)acridine

9-(9-acridin-9-ylnonan-4-yl)acridine (PubChem CID 172740740) has the molecular formula C35H34N2 and a molecular weight of 482.67 g/mol. Its IUPAC name is 9-(9-acridin-9-ylnonan-4-yl)acridine.

Molecular Properties

Compound Name9-(9-acridin-9-ylnonan-4-yl)acridine
PubChem CID172740740
Molecular FormulaC35H34N2
Molecular Weight482.67 g/mol
Exact Mass482.27
IUPAC Name9-(9-acridin-9-ylnonan-4-yl)acridine
SMILESCCCC(CCCCCc1c2ccccc2nc2ccccc12)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C35H34N2/c1-2-14-25(35-29-19-8-12-23-33(29)37-34-24-13-9-20-30(34)35)15-4-3-5-16-26-27-17-6-10-21-31(27)36-32-22-11-7-18-28(26)32/h6-13,17-25H,2-5,14-16H2,1H3
InChIKeyJBISJCAOXZOECQ-UHFFFAOYSA-N
XLogP9.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 59.78
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

9-(8-acridin-9-yloctyl)acridine
CID 10504492
9-butylacridine
CID 606127
9-(4-methoxybutyl)acridine
CID 54573696
11-acridin-9-ylundecanoic acid
CID 10737446
acridine;9-propylacridine
CID 146450775
7-(3-benzo[c]acridin-7-ylpropyl)benzo[c]acridine
CID 135144346
1-(2-methylquinolin-4-yl)octan-1-amine
CID 105124901
1-octacosan-4-ylnaphthalene
CID 54149804
2-decan-4-yl-3-pentylterephthalic acid
CID 122470245
9-[11-[4-[1-(11-acridin-9-ylundecyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]undecyl]acridine dibromide
CID 11343641
3-bromo-4-hexylquinoline
CID 134275854
4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride
CID 126622258

Frequently Asked Questions

What is the IUPAC name of 9-(9-acridin-9-ylnonan-4-yl)acridine?
The IUPAC name of 9-(9-acridin-9-ylnonan-4-yl)acridine (CID 172740740) is 9-(9-acridin-9-ylnonan-4-yl)acridine.
What is the SMILES notation for 9-(9-acridin-9-ylnonan-4-yl)acridine?
The canonical SMILES for 9-(9-acridin-9-ylnonan-4-yl)acridine is CCCC(CCCCCc1c2ccccc2nc2ccccc12)c1c2ccccc2nc2ccccc12.
What is the InChIKey of 9-(9-acridin-9-ylnonan-4-yl)acridine?
The InChIKey is JBISJCAOXZOECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N2/c1-2-14-25(35-29-19-8-12-23-33(29)37-34-24-13-9-20-30(34)35)15-4-3-5-16-26-27-17-6-10-21-31(27)36-32-22-11-7-18-28(26)32/h6-13,17-25H,2-5,14-16H2,1H3.
What are the key properties of 9-(9-acridin-9-ylnonan-4-yl)acridine?
9-(9-acridin-9-ylnonan-4-yl)acridine has a molecular weight of 482.67 g/mol, XLogP of 9.78, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-acridin-9-ylnonan-4-yl)acridine is sourced from PubChem (CID 172740740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).