9-(1,2,2,3-tetramethylperimidin-6-yl)acridine

C28H25N3 — CID 91199598

IUPAC9-(1,2,2,3-tetramethylperimidin-6-yl)acridine
SMILESCN1c2cccc3c(-c4c5ccccc5nc5ccccc45)ccc(c23)N(C)C1(C)C
InChIInChI=1S/C28H25N3/c1-28(2)30(3)24-15-9-12-18-19(16-17-25(27(18)24)31(28)4)26-20-10-5-7-13-22(20)29-23-14-8-6-11-21(23)26/h5-17H,1-4H3
InChIKeyJETODICKGNIEOY-UHFFFAOYSA-N
MW403.53 g/mol
LogP6.83
Rot. Bonds1

About 9-(1,2,2,3-tetramethylperimidin-6-yl)acridine

9-(1,2,2,3-tetramethylperimidin-6-yl)acridine (PubChem CID 91199598) has the molecular formula C28H25N3 and a molecular weight of 403.53 g/mol. Its IUPAC name is 9-(1,2,2,3-tetramethylperimidin-6-yl)acridine.

Molecular Properties

Compound Name9-(1,2,2,3-tetramethylperimidin-6-yl)acridine
PubChem CID91199598
Molecular FormulaC28H25N3
Molecular Weight403.53 g/mol
Exact Mass403.20
IUPAC Name9-(1,2,2,3-tetramethylperimidin-6-yl)acridine
SMILESCN1c2cccc3c(-c4c5ccccc5nc5ccccc45)ccc(c23)N(C)C1(C)C
InChIInChI=1S/C28H25N3/c1-28(2)30(3)24-15-9-12-18-19(16-17-25(27(18)24)31(28)4)26-20-10-5-7-13-22(20)29-23-14-8-6-11-21(23)26/h5-17H,1-4H3
InChIKeyJETODICKGNIEOY-UHFFFAOYSA-N
XLogP6.83
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(10-fluoranthen-3-ylanthracen-9-yl)phenyl]-2-methylbenzimidazole
CID 170236099
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CID 20583393
14-(3,5-dimethylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-15-one
CID 139223995
2-ethyl-1-[2-(10-fluoranthen-3-ylanthracen-9-yl)phenyl]benzimidazole
CID 170235869
1-[2-(10-fluoranthen-3-ylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole
CID 169071299
9-(8-acridin-9-ylnaphthalen-1-yl)-10-methylacridin-10-ium
CID 101357954
2-acridin-9-yl-6-methoxyaniline
CID 150368327
9-naphthalen-1-ylacridin-3-ol
CID 136705128
14-[3-(4-methylpiperazin-1-yl)propyl]-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaene
CID 151657750
9-(2-propylphenyl)acridine
CID 150145434
8,8,15-trimethyl-10-(10-phenylanthracen-9-yl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122427001
14-methyl-11-phenylmethoxy-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 10475380

Frequently Asked Questions

What is the IUPAC name of 9-(1,2,2,3-tetramethylperimidin-6-yl)acridine?
The IUPAC name of 9-(1,2,2,3-tetramethylperimidin-6-yl)acridine (CID 91199598) is 9-(1,2,2,3-tetramethylperimidin-6-yl)acridine.
What is the SMILES notation for 9-(1,2,2,3-tetramethylperimidin-6-yl)acridine?
The canonical SMILES for 9-(1,2,2,3-tetramethylperimidin-6-yl)acridine is CN1c2cccc3c(-c4c5ccccc5nc5ccccc45)ccc(c23)N(C)C1(C)C.
What is the InChIKey of 9-(1,2,2,3-tetramethylperimidin-6-yl)acridine?
The InChIKey is JETODICKGNIEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3/c1-28(2)30(3)24-15-9-12-18-19(16-17-25(27(18)24)31(28)4)26-20-10-5-7-13-22(20)29-23-14-8-6-11-21(23)26/h5-17H,1-4H3.
What are the key properties of 9-(1,2,2,3-tetramethylperimidin-6-yl)acridine?
9-(1,2,2,3-tetramethylperimidin-6-yl)acridine has a molecular weight of 403.53 g/mol, XLogP of 6.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,2,2,3-tetramethylperimidin-6-yl)acridine is sourced from PubChem (CID 91199598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).