6-chloro-9-[1-(6-chloro-2-methoxyacridin-9-yl)acridin-2-yl]-2-methoxyacridine

C41H25Cl2N3O2 — CID 172780494

IUPAC6-chloro-9-[1-(6-chloro-2-methoxyacridin-9-yl)acridin-2-yl]-2-methoxyacridine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(-c3ccc4nc5ccccc5cc4c3-c3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1
InChIInChI=1S/C41H25Cl2N3O2/c1-47-25-9-14-34-31(20-25)39(27-11-7-23(42)18-37(27)45-34)29-13-16-36-30(17-22-5-3-4-6-33(22)44-36)41(29)40-28-12-8-24(43)19-38(28)46-35-15-10-26(48-2)21-32(35)40/h3-21H,1-2H3
InChIKeyOEOITSMEBHVFEG-UHFFFAOYSA-N
MW662.58 g/mol
LogP11.45
Rot. Bonds4

About 6-chloro-9-[1-(6-chloro-2-methoxyacridin-9-yl)acridin-2-yl]-2-methoxyacridine

6-chloro-9-[1-(6-chloro-2-methoxyacridin-9-yl)acridin-2-yl]-2-methoxyacridine (PubChem CID 172780494) has the molecular formula C41H25Cl2N3O2 and a molecular weight of 662.58 g/mol. Its IUPAC name is 6-chloro-9-[1-(6-chloro-2-methoxyacridin-9-yl)acridin-2-yl]-2-methoxyacridine.

Molecular Properties

Compound Name6-chloro-9-[1-(6-chloro-2-methoxyacridin-9-yl)acridin-2-yl]-2-methoxyacridine
PubChem CID172780494
Molecular FormulaC41H25Cl2N3O2
Molecular Weight662.58 g/mol
Exact Mass661.13
IUPAC Name6-chloro-9-[1-(6-chloro-2-methoxyacridin-9-yl)acridin-2-yl]-2-methoxyacridine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(-c3ccc4nc5ccccc5cc4c3-c3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1
InChIInChI=1S/C41H25Cl2N3O2/c1-47-25-9-14-34-31(20-25)39(27-11-7-23(42)18-37(27)45-34)29-13-16-36-30(17-22-5-3-4-6-33(22)44-36)41(29)40-28-12-8-24(43)19-38(28)46-35-15-10-26(48-2)21-32(35)40/h3-21H,1-2H3
InChIKeyOEOITSMEBHVFEG-UHFFFAOYSA-N
XLogP11.45
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.58
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine
CID 162418858
9-(benzenesulfonyl)-6-chloro-2-methoxyacridine
CID 11417730
6-chloro-2-methoxy-N,N-dimethylacridin-9-amine
CID 71406674
6-chloro-2-methoxy-9-(3-phenylpropyl)acridine
CID 141333744
1-N,2-N-bis(6-chloro-2-methoxyacridin-9-yl)cyclohexane-1,2-diamine
CID 10393752
N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
4-N-(6-chloro-2-methoxyacridin-9-yl)benzene-1,4-diamine
CID 56666124
N-(6-chloro-2-methoxyacridin-9-yl)-N'-methoxy-N'-methylethane-1,2-diamine
CID 170597932
1-(6-chloro-2-methoxyacridin-9-yl)piperidin-4-ol
CID 71595103
1-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-3-phenylurea
CID 127037354
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
2-N-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 46186895

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[1-(6-chloro-2-methoxyacridin-9-yl)acridin-2-yl]-2-methoxyacridine?
The IUPAC name of 6-chloro-9-[1-(6-chloro-2-methoxyacridin-9-yl)acridin-2-yl]-2-methoxyacridine (CID 172780494) is 6-chloro-9-[1-(6-chloro-2-methoxyacridin-9-yl)acridin-2-yl]-2-methoxyacridine.
What is the SMILES notation for 6-chloro-9-[1-(6-chloro-2-methoxyacridin-9-yl)acridin-2-yl]-2-methoxyacridine?
The canonical SMILES for 6-chloro-9-[1-(6-chloro-2-methoxyacridin-9-yl)acridin-2-yl]-2-methoxyacridine is COc1ccc2nc3cc(Cl)ccc3c(-c3ccc4nc5ccccc5cc4c3-c3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1.
What is the InChIKey of 6-chloro-9-[1-(6-chloro-2-methoxyacridin-9-yl)acridin-2-yl]-2-methoxyacridine?
The InChIKey is OEOITSMEBHVFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25Cl2N3O2/c1-47-25-9-14-34-31(20-25)39(27-11-7-23(42)18-37(27)45-34)29-13-16-36-30(17-22-5-3-4-6-33(22)44-36)41(29)40-28-12-8-24(43)19-38(28)46-35-15-10-26(48-2)21-32(35)40/h3-21H,1-2H3.
What are the key properties of 6-chloro-9-[1-(6-chloro-2-methoxyacridin-9-yl)acridin-2-yl]-2-methoxyacridine?
6-chloro-9-[1-(6-chloro-2-methoxyacridin-9-yl)acridin-2-yl]-2-methoxyacridine has a molecular weight of 662.58 g/mol, XLogP of 11.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[1-(6-chloro-2-methoxyacridin-9-yl)acridin-2-yl]-2-methoxyacridine is sourced from PubChem (CID 172780494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).