2-(chloromethyl)-9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium;(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium-2-yl)methyl-trimethylgermane

C43H49ClGeN4O2+2 — CID 159300542

IUPAC2-(chloromethyl)-9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium;(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium-2-yl)methyl-trimethylgermane
SMILESCOc1ccc2c(c1)c1c(C)c3c[n+](CCl)ccc3c(C)c1n2C.COc1ccc2c(c1)c1c(C)c3c[n+](C[Ge](C)(C)C)ccc3c(C)c1n2C
InChIInChI=1S/C23H29GeN2O.C20H20ClN2O/c1-15-20-13-26(14-24(3,4)5)11-10-18(20)16(2)23-22(15)19-12-17(27-7)8-9-21(19)25(23)6;1-12-17-10-23(11-21)8-7-15(17)13(2)20-19(12)16-9-14(24-4)5-6-18(16)22(20)3/h8-13H,14H2,1-7H3;5-10H,11H2,1-4H3/q2*+1
InChIKeyUOYMBXKBNLRRJQ-UHFFFAOYSA-N
MW761.95 g/mol
LogP9.87
Rot. Bonds5

About 2-(chloromethyl)-9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium;(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium-2-yl)methyl-trimethylgermane

2-(chloromethyl)-9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium;(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium-2-yl)methyl-trimethylgermane (PubChem CID 159300542) has the molecular formula C43H49ClGeN4O2+2 and a molecular weight of 761.95 g/mol. Its IUPAC name is 2-(chloromethyl)-9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium;(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium-2-yl)methyl-trimethylgermane.

Molecular Properties

Compound Name2-(chloromethyl)-9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium;(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium-2-yl)methyl-trimethylgermane
PubChem CID159300542
Molecular FormulaC43H49ClGeN4O2+2
Molecular Weight761.95 g/mol
Exact Mass762.27
IUPAC Name2-(chloromethyl)-9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium;(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium-2-yl)methyl-trimethylgermane
SMILESCOc1ccc2c(c1)c1c(C)c3c[n+](CCl)ccc3c(C)c1n2C.COc1ccc2c(c1)c1c(C)c3c[n+](C[Ge](C)(C)C)ccc3c(C)c1n2C
InChIInChI=1S/C23H29GeN2O.C20H20ClN2O/c1-15-20-13-26(14-24(3,4)5)11-10-18(20)16(2)23-22(15)19-12-17(27-7)8-9-21(19)25(23)6;1-12-17-10-23(11-21)8-7-15(17)13(2)20-19(12)16-9-14(24-4)5-6-18(16)22(20)3/h8-13H,14H2,1-7H3;5-10H,11H2,1-4H3/q2*+1
InChIKeyUOYMBXKBNLRRJQ-UHFFFAOYSA-N
XLogP9.87
TPSA36.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.95
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(chloromethyl)-9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium;(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium-2-yl)methyl-trimethylgermane with MolForge

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Related Compounds

9-methoxy-1-(4-methoxyphenyl)-2,5,6-trimethylpyrido[4,3-b]carbazol-2-ium
CID 11519289
ethane;5-methoxy-1,2,3-trimethylindole
CID 143529502
4-chloro-6-methoxy-1,3-dimethylquinolin-2-one
CID 171338243
7-methoxy-2-[8-(7-methoxy-1,9-dimethylpyrido[3,4-b]indol-2-ium-2-yl)octyl]-1,9-dimethylpyrido[3,4-b]indol-2-ium dibromide
CID 127045953
3-[3-(dimethylamino)propyl]-8-methoxy-1,5-dimethylpyridazino[4,5-b]indol-4-one
CID 4906216
1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]sulfanylethanone
CID 3429472
3-butyl-5-methoxy-1,2-dimethylindole
CID 129194050
4-chloro-6-methoxy-1-methylquinolin-2-one
CID 11673021
5-methoxy-1,2-dimethyl-3-propan-2-ylindole
CID 167327667
1-(6-methoxy-4,9-dimethylpyrido[2,3-b]indol-2-yl)ethanone
CID 135060319
9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole
CID 56673067
5-methoxy-1,2-dimethyl-3-pentylindole
CID 129194157

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium;(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium-2-yl)methyl-trimethylgermane?
The IUPAC name of 2-(chloromethyl)-9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium;(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium-2-yl)methyl-trimethylgermane (CID 159300542) is 2-(chloromethyl)-9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium;(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium-2-yl)methyl-trimethylgermane.
What is the SMILES notation for 2-(chloromethyl)-9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium;(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium-2-yl)methyl-trimethylgermane?
The canonical SMILES for 2-(chloromethyl)-9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium;(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium-2-yl)methyl-trimethylgermane is COc1ccc2c(c1)c1c(C)c3c[n+](CCl)ccc3c(C)c1n2C.COc1ccc2c(c1)c1c(C)c3c[n+](C[Ge](C)(C)C)ccc3c(C)c1n2C.
What is the InChIKey of 2-(chloromethyl)-9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium;(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium-2-yl)methyl-trimethylgermane?
The InChIKey is UOYMBXKBNLRRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29GeN2O.C20H20ClN2O/c1-15-20-13-26(14-24(3,4)5)11-10-18(20)16(2)23-22(15)19-12-17(27-7)8-9-21(19)25(23)6;1-12-17-10-23(11-21)8-7-15(17)13(2)20-19(12)16-9-14(24-4)5-6-18(16)22(20)3/h8-13H,14H2,1-7H3;5-10H,11H2,1-4H3/q2*+1.
What are the key properties of 2-(chloromethyl)-9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium;(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium-2-yl)methyl-trimethylgermane?
2-(chloromethyl)-9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium;(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium-2-yl)methyl-trimethylgermane has a molecular weight of 761.95 g/mol, XLogP of 9.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium;(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium-2-yl)methyl-trimethylgermane is sourced from PubChem (CID 159300542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).