9-tert-butyl-1,2,3,4,6,7-hexamethylacridine;9-tert-butyl-1,2,3,6,7-pentamethylacridine;9-tert-butyl-2,3,4,6,7-pentamethylacridine;9-tert-butyl-1,2,6,7-tetramethylacridine;9-tert-butyl-1,3,6,7-tetramethylacridine;9-tert-butyl-1,4,6,7-tetramethylacridine;9-tert-butyl-1,5,6,7-tetramethylacridine

C151H183N7 — CID 159689695

IUPAC9-tert-butyl-1,2,3,4,6,7-hexamethylacridine;9-tert-butyl-1,2,3,6,7-pentamethylacridine;9-tert-butyl-2,3,4,6,7-pentamethylacridine;9-tert-butyl-1,2,6,7-tetramethylacridine;9-tert-butyl-1,3,6,7-tetramethylacridine;9-tert-butyl-1,4,6,7-tetramethylacridine;9-tert-butyl-1,5,6,7-tetramethylacridine
SMILESCc1cc(C)c2c(C(C)(C)C)c3cc(C)c(C)cc3nc2c1.Cc1cc2c(C(C)(C)C)c3c(C)cccc3nc2c(C)c1C.Cc1cc2nc3c(C)c(C)c(C)c(C)c3c(C(C)(C)C)c2cc1C.Cc1cc2nc3c(C)c(C)c(C)cc3c(C(C)(C)C)c2cc1C.Cc1cc2nc3c(C)ccc(C)c3c(C(C)(C)C)c2cc1C.Cc1cc2nc3cc(C)c(C)c(C)c3c(C(C)(C)C)c2cc1C.Cc1cc2nc3ccc(C)c(C)c3c(C(C)(C)C)c2cc1C
InChIInChI=1S/C23H29N.2C22H27N.4C21H25N/c1-12-10-18-19(11-13(12)2)24-22-17(6)15(4)14(3)16(5)20(22)21(18)23(7,8)9;1-12-9-17-19(11-13(12)2)23-21-16(5)15(4)14(3)10-18(21)20(17)22(6,7)8;1-12-9-17-18(10-13(12)2)23-19-11-14(3)15(4)16(5)20(19)21(17)22(6,7)8;1-12-8-15(4)19-18(9-12)22-17-11-14(3)13(2)10-16(17)20(19)21(5,6)7;1-12-8-9-17-19(15(12)4)20(21(5,6)7)16-10-13(2)14(3)11-18(16)22-17;1-12-8-9-13(2)20-18(12)19(21(5,6)7)16-10-14(3)15(4)11-17(16)22-20;1-12-9-8-10-17-18(12)19(21(5,6)7)16-11-13(2)14(3)15(4)20(16)22-17/h10-11H,1-9H3;2*9-11H,1-8H3;4*8-11H,1-7H3
InChIKeyMWGDKFRDRPHTCL-UHFFFAOYSA-N
MW2096.17 g/mol
LogP42.67
Rot. Bonds

About 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine;9-tert-butyl-1,2,3,6,7-pentamethylacridine;9-tert-butyl-2,3,4,6,7-pentamethylacridine;9-tert-butyl-1,2,6,7-tetramethylacridine;9-tert-butyl-1,3,6,7-tetramethylacridine;9-tert-butyl-1,4,6,7-tetramethylacridine;9-tert-butyl-1,5,6,7-tetramethylacridine

9-tert-butyl-1,2,3,4,6,7-hexamethylacridine;9-tert-butyl-1,2,3,6,7-pentamethylacridine;9-tert-butyl-2,3,4,6,7-pentamethylacridine;9-tert-butyl-1,2,6,7-tetramethylacridine;9-tert-butyl-1,3,6,7-tetramethylacridine;9-tert-butyl-1,4,6,7-tetramethylacridine;9-tert-butyl-1,5,6,7-tetramethylacridine (PubChem CID 159689695) has the molecular formula C151H183N7 and a molecular weight of 2096.17 g/mol. Its IUPAC name is 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine;9-tert-butyl-1,2,3,6,7-pentamethylacridine;9-tert-butyl-2,3,4,6,7-pentamethylacridine;9-tert-butyl-1,2,6,7-tetramethylacridine;9-tert-butyl-1,3,6,7-tetramethylacridine;9-tert-butyl-1,4,6,7-tetramethylacridine;9-tert-butyl-1,5,6,7-tetramethylacridine.

Molecular Properties

Compound Name9-tert-butyl-1,2,3,4,6,7-hexamethylacridine;9-tert-butyl-1,2,3,6,7-pentamethylacridine;9-tert-butyl-2,3,4,6,7-pentamethylacridine;9-tert-butyl-1,2,6,7-tetramethylacridine;9-tert-butyl-1,3,6,7-tetramethylacridine;9-tert-butyl-1,4,6,7-tetramethylacridine;9-tert-butyl-1,5,6,7-tetramethylacridine
PubChem CID159689695
Molecular FormulaC151H183N7
Molecular Weight2096.17 g/mol
Exact Mass2094.45
IUPAC Name9-tert-butyl-1,2,3,4,6,7-hexamethylacridine;9-tert-butyl-1,2,3,6,7-pentamethylacridine;9-tert-butyl-2,3,4,6,7-pentamethylacridine;9-tert-butyl-1,2,6,7-tetramethylacridine;9-tert-butyl-1,3,6,7-tetramethylacridine;9-tert-butyl-1,4,6,7-tetramethylacridine;9-tert-butyl-1,5,6,7-tetramethylacridine
SMILESCc1cc(C)c2c(C(C)(C)C)c3cc(C)c(C)cc3nc2c1.Cc1cc2c(C(C)(C)C)c3c(C)cccc3nc2c(C)c1C.Cc1cc2nc3c(C)c(C)c(C)c(C)c3c(C(C)(C)C)c2cc1C.Cc1cc2nc3c(C)c(C)c(C)cc3c(C(C)(C)C)c2cc1C.Cc1cc2nc3c(C)ccc(C)c3c(C(C)(C)C)c2cc1C.Cc1cc2nc3cc(C)c(C)c(C)c3c(C(C)(C)C)c2cc1C.Cc1cc2nc3ccc(C)c(C)c3c(C(C)(C)C)c2cc1C
InChIInChI=1S/C23H29N.2C22H27N.4C21H25N/c1-12-10-18-19(11-13(12)2)24-22-17(6)15(4)14(3)16(5)20(22)21(18)23(7,8)9;1-12-9-17-19(11-13(12)2)23-21-16(5)15(4)14(3)10-18(21)20(17)22(6,7)8;1-12-9-17-18(10-13(12)2)23-19-11-14(3)15(4)16(5)20(19)21(17)22(6,7)8;1-12-8-15(4)19-18(9-12)22-17-11-14(3)13(2)10-16(17)20(19)21(5,6)7;1-12-8-9-17-19(15(12)4)20(21(5,6)7)16-10-13(2)14(3)11-18(16)22-17;1-12-8-9-13(2)20-18(12)19(21(5,6)7)16-10-14(3)15(4)11-17(16)22-20;1-12-9-8-10-17-18(12)19(21(5,6)7)16-11-13(2)14(3)15(4)20(16)22-17/h10-11H,1-9H3;2*9-11H,1-8H3;4*8-11H,1-7H3
InChIKeyMWGDKFRDRPHTCL-UHFFFAOYSA-N
XLogP42.67
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002096.17
LogP ≤ 542.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine;9-tert-butyl-1,2,3,6,7-pentamethylacridine;9-tert-butyl-2,3,4,6,7-pentamethylacridine;9-tert-butyl-1,2,6,7-tetramethylacridine;9-tert-butyl-1,3,6,7-tetramethylacridine;9-tert-butyl-1,4,6,7-tetramethylacridine;9-tert-butyl-1,5,6,7-tetramethylacridine with MolForge

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Related Compounds

9-tert-butyl-1,2,3,4,6,7-hexamethylacridine
CID 159689701
9-tert-butyl-1,3,7-trimethylacridine
CID 159196229
9-tert-butyl-1,4,7-trimethylacridine
CID 159196230
9-tert-butyl-2,3,7-trimethylacridine
CID 157493944
9-tert-butyl-3,4,6-trimethylacridine
CID 160660304
9-tert-butyl-3,6-dimethylacridine
CID 159242363
1,3,5,10-tetramethylanthracene
CID 163863681
2-(3,5-dimethylphenyl)-4,5-dimethylquinoline
CID 59348519
2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline
CID 134387972
5,7-dimethylphenanthro[9,10-b]quinoxaline
CID 165358551
1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)
CID 158514008
(1E)-1-(10,15-dimethyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-ylidene)ethanol
CID 135442808

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine;9-tert-butyl-1,2,3,6,7-pentamethylacridine;9-tert-butyl-2,3,4,6,7-pentamethylacridine;9-tert-butyl-1,2,6,7-tetramethylacridine;9-tert-butyl-1,3,6,7-tetramethylacridine;9-tert-butyl-1,4,6,7-tetramethylacridine;9-tert-butyl-1,5,6,7-tetramethylacridine?
The IUPAC name of 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine;9-tert-butyl-1,2,3,6,7-pentamethylacridine;9-tert-butyl-2,3,4,6,7-pentamethylacridine;9-tert-butyl-1,2,6,7-tetramethylacridine;9-tert-butyl-1,3,6,7-tetramethylacridine;9-tert-butyl-1,4,6,7-tetramethylacridine;9-tert-butyl-1,5,6,7-tetramethylacridine (CID 159689695) is 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine;9-tert-butyl-1,2,3,6,7-pentamethylacridine;9-tert-butyl-2,3,4,6,7-pentamethylacridine;9-tert-butyl-1,2,6,7-tetramethylacridine;9-tert-butyl-1,3,6,7-tetramethylacridine;9-tert-butyl-1,4,6,7-tetramethylacridine;9-tert-butyl-1,5,6,7-tetramethylacridine.
What is the SMILES notation for 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine;9-tert-butyl-1,2,3,6,7-pentamethylacridine;9-tert-butyl-2,3,4,6,7-pentamethylacridine;9-tert-butyl-1,2,6,7-tetramethylacridine;9-tert-butyl-1,3,6,7-tetramethylacridine;9-tert-butyl-1,4,6,7-tetramethylacridine;9-tert-butyl-1,5,6,7-tetramethylacridine?
The canonical SMILES for 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine;9-tert-butyl-1,2,3,6,7-pentamethylacridine;9-tert-butyl-2,3,4,6,7-pentamethylacridine;9-tert-butyl-1,2,6,7-tetramethylacridine;9-tert-butyl-1,3,6,7-tetramethylacridine;9-tert-butyl-1,4,6,7-tetramethylacridine;9-tert-butyl-1,5,6,7-tetramethylacridine is Cc1cc(C)c2c(C(C)(C)C)c3cc(C)c(C)cc3nc2c1.Cc1cc2c(C(C)(C)C)c3c(C)cccc3nc2c(C)c1C.Cc1cc2nc3c(C)c(C)c(C)c(C)c3c(C(C)(C)C)c2cc1C.Cc1cc2nc3c(C)c(C)c(C)cc3c(C(C)(C)C)c2cc1C.Cc1cc2nc3c(C)ccc(C)c3c(C(C)(C)C)c2cc1C.Cc1cc2nc3cc(C)c(C)c(C)c3c(C(C)(C)C)c2cc1C.Cc1cc2nc3ccc(C)c(C)c3c(C(C)(C)C)c2cc1C.
What is the InChIKey of 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine;9-tert-butyl-1,2,3,6,7-pentamethylacridine;9-tert-butyl-2,3,4,6,7-pentamethylacridine;9-tert-butyl-1,2,6,7-tetramethylacridine;9-tert-butyl-1,3,6,7-tetramethylacridine;9-tert-butyl-1,4,6,7-tetramethylacridine;9-tert-butyl-1,5,6,7-tetramethylacridine?
The InChIKey is MWGDKFRDRPHTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N.2C22H27N.4C21H25N/c1-12-10-18-19(11-13(12)2)24-22-17(6)15(4)14(3)16(5)20(22)21(18)23(7,8)9;1-12-9-17-19(11-13(12)2)23-21-16(5)15(4)14(3)10-18(21)20(17)22(6,7)8;1-12-9-17-18(10-13(12)2)23-19-11-14(3)15(4)16(5)20(19)21(17)22(6,7)8;1-12-8-15(4)19-18(9-12)22-17-11-14(3)13(2)10-16(17)20(19)21(5,6)7;1-12-8-9-17-19(15(12)4)20(21(5,6)7)16-10-13(2)14(3)11-18(16)22-17;1-12-8-9-13(2)20-18(12)19(21(5,6)7)16-10-14(3)15(4)11-17(16)22-20;1-12-9-8-10-17-18(12)19(21(5,6)7)16-11-13(2)14(3)15(4)20(16)22-17/h10-11H,1-9H3;2*9-11H,1-8H3;4*8-11H,1-7H3.
What are the key properties of 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine;9-tert-butyl-1,2,3,6,7-pentamethylacridine;9-tert-butyl-2,3,4,6,7-pentamethylacridine;9-tert-butyl-1,2,6,7-tetramethylacridine;9-tert-butyl-1,3,6,7-tetramethylacridine;9-tert-butyl-1,4,6,7-tetramethylacridine;9-tert-butyl-1,5,6,7-tetramethylacridine?
9-tert-butyl-1,2,3,4,6,7-hexamethylacridine;9-tert-butyl-1,2,3,6,7-pentamethylacridine;9-tert-butyl-2,3,4,6,7-pentamethylacridine;9-tert-butyl-1,2,6,7-tetramethylacridine;9-tert-butyl-1,3,6,7-tetramethylacridine;9-tert-butyl-1,4,6,7-tetramethylacridine;9-tert-butyl-1,5,6,7-tetramethylacridine has a molecular weight of 2096.17 g/mol, XLogP of 42.67, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-1,2,3,4,6,7-hexamethylacridine;9-tert-butyl-1,2,3,6,7-pentamethylacridine;9-tert-butyl-2,3,4,6,7-pentamethylacridine;9-tert-butyl-1,2,6,7-tetramethylacridine;9-tert-butyl-1,3,6,7-tetramethylacridine;9-tert-butyl-1,4,6,7-tetramethylacridine;9-tert-butyl-1,5,6,7-tetramethylacridine is sourced from PubChem (CID 159689695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).