10-methoxy-3-[2-[4-[1-[2-(10-methoxy-7H-pyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[3,4-c]carbazol-3-ium dichloride

C46H50Cl2N6O2 — CID 15921312

IUPAC10-methoxy-3-[2-[4-[1-[2-(10-methoxy-7H-pyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[3,4-c]carbazol-3-ium dichloride
SMILESCOc1ccc2[nH]c3ccc4c[n+](CCN5CCC(C6CCN(CC[n+]7ccc8c(ccc9[nH]c%10ccc(OC)cc%10c98)c7)CC6)CC5)ccc4c3c2c1.[Cl-].[Cl-]
InChIInChI=1S/C46H48N6O2.2ClH/c1-53-35-5-9-41-39(27-35)45-37-15-21-51(29-33(37)3-7-43(45)47-41)25-23-49-17-11-31(12-18-49)32-13-19-50(20-14-32)24-26-52-22-16-38-34(30-52)4-8-44-46(38)40-28-36(54-2)6-10-42(40)48-44;;/h3-10,15-16,21-22,27-32H,11-14,17-20,23-26H2,1-2H3;2*1H
InChIKeyRYCASFWWBGYIIL-UHFFFAOYSA-N
MW789.85 g/mol
LogP1.99
Rot. Bonds9

About 10-methoxy-3-[2-[4-[1-[2-(10-methoxy-7H-pyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[3,4-c]carbazol-3-ium dichloride

10-methoxy-3-[2-[4-[1-[2-(10-methoxy-7H-pyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[3,4-c]carbazol-3-ium dichloride (PubChem CID 15921312) has the molecular formula C46H50Cl2N6O2 and a molecular weight of 789.85 g/mol. Its IUPAC name is 10-methoxy-3-[2-[4-[1-[2-(10-methoxy-7H-pyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[3,4-c]carbazol-3-ium dichloride.

Molecular Properties

Compound Name10-methoxy-3-[2-[4-[1-[2-(10-methoxy-7H-pyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[3,4-c]carbazol-3-ium dichloride
PubChem CID15921312
Molecular FormulaC46H50Cl2N6O2
Molecular Weight789.85 g/mol
Exact Mass788.34
IUPAC Name10-methoxy-3-[2-[4-[1-[2-(10-methoxy-7H-pyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[3,4-c]carbazol-3-ium dichloride
SMILESCOc1ccc2[nH]c3ccc4c[n+](CCN5CCC(C6CCN(CC[n+]7ccc8c(ccc9[nH]c%10ccc(OC)cc%10c98)c7)CC6)CC5)ccc4c3c2c1.[Cl-].[Cl-]
InChIInChI=1S/C46H48N6O2.2ClH/c1-53-35-5-9-41-39(27-35)45-37-15-21-51(29-33(37)3-7-43(45)47-41)25-23-49-17-11-31(12-18-49)32-13-19-50(20-14-32)24-26-52-22-16-38-34(30-52)4-8-44-46(38)40-28-36(54-2)6-10-42(40)48-44;;/h3-10,15-16,21-22,27-32H,11-14,17-20,23-26H2,1-2H3;2*1H
InChIKeyRYCASFWWBGYIIL-UHFFFAOYSA-N
XLogP1.99
TPSA64.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500789.85
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-methoxy-3-[2-[4-[1-[2-(10-methoxy-7H-pyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[3,4-c]carbazol-3-ium dichloride with MolForge

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Launch Full Analysis

Related Compounds

9-Methoxy-5,11-Dimethyl-6H-Pyrido(4,3-B)Carbazole
CID 72512
9-Methoxy-2-methylellipticinium acetate
CID 362973
Ditercalinium Chloride
CID 71541
6H-Pyrido(4,3-b)carbazole, 1-((3-(4-aminopropyl-1-piperazinyl)propyl)amino)-9-methoxy-5-methyl-
CID 135608
3-(9-Methoxy-5,11-dimethylpyrido(4,3-b)carbazol-6-yl)propan-1-amine
CID 425818
9-Methoxy-2,5,11-trimethyl-6H-pyrido(4,3-b)carbazolium iodide
CID 3086380
8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline
CID 155294460
9-Methoxy-N(2)-methylellipticinium
CID 125823
Ditercalinium
CID 3119
8-[4-[4-(5-methoxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1,2,3,4-tetrahydroacridin-9-amine
CID 145962768
9-Methoxy-5,6,11-trimethylpyrido[4,3-b]carbazole
CID 97260
9-ethoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
CID 373611

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-3-[2-[4-[1-[2-(10-methoxy-7H-pyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[3,4-c]carbazol-3-ium dichloride?
The IUPAC name of 10-methoxy-3-[2-[4-[1-[2-(10-methoxy-7H-pyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[3,4-c]carbazol-3-ium dichloride (CID 15921312) is 10-methoxy-3-[2-[4-[1-[2-(10-methoxy-7H-pyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[3,4-c]carbazol-3-ium dichloride.
What is the SMILES notation for 10-methoxy-3-[2-[4-[1-[2-(10-methoxy-7H-pyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[3,4-c]carbazol-3-ium dichloride?
The canonical SMILES for 10-methoxy-3-[2-[4-[1-[2-(10-methoxy-7H-pyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[3,4-c]carbazol-3-ium dichloride is COc1ccc2[nH]c3ccc4c[n+](CCN5CCC(C6CCN(CC[n+]7ccc8c(ccc9[nH]c%10ccc(OC)cc%10c98)c7)CC6)CC5)ccc4c3c2c1.[Cl-].[Cl-].
What is the InChIKey of 10-methoxy-3-[2-[4-[1-[2-(10-methoxy-7H-pyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[3,4-c]carbazol-3-ium dichloride?
The InChIKey is RYCASFWWBGYIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N6O2.2ClH/c1-53-35-5-9-41-39(27-35)45-37-15-21-51(29-33(37)3-7-43(45)47-41)25-23-49-17-11-31(12-18-49)32-13-19-50(20-14-32)24-26-52-22-16-38-34(30-52)4-8-44-46(38)40-28-36(54-2)6-10-42(40)48-44;;/h3-10,15-16,21-22,27-32H,11-14,17-20,23-26H2,1-2H3;2*1H.
What are the key properties of 10-methoxy-3-[2-[4-[1-[2-(10-methoxy-7H-pyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[3,4-c]carbazol-3-ium dichloride?
10-methoxy-3-[2-[4-[1-[2-(10-methoxy-7H-pyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[3,4-c]carbazol-3-ium dichloride has a molecular weight of 789.85 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-3-[2-[4-[1-[2-(10-methoxy-7H-pyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[3,4-c]carbazol-3-ium dichloride is sourced from PubChem (CID 15921312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).