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

C48H54N6O2+2 — CID 15156567

IUPAC10-methoxy-7-[2-[4-[1-[2-(10-methoxy-2-methylpyrido[4,3-c]carbazol-2-ium-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-2-methylpyrido[4,3-c]carbazol-2-ium
SMILESCOc1ccc2c(c1)c1c3c[n+](C)ccc3ccc1n2CCN1CCC(C2CCN(CCn3c4ccc(OC)cc4c4c5c[n+](C)ccc5ccc43)CC2)CC1
InChIInChI=1S/C48H54N6O2/c1-49-19-13-35-5-9-45-47(41(35)31-49)39-29-37(55-3)7-11-43(39)53(45)27-25-51-21-15-33(16-22-51)34-17-23-52(24-18-34)26-28-54-44-12-8-38(56-4)30-40(44)48-42-32-50(2)20-14-36(42)6-10-46(48)54/h5-14,19-20,29-34H,15-18,21-28H2,1-4H3/q+2
InChIKeyAXXNKWJMKALKFP-UHFFFAOYSA-N
MW747.00 g/mol
LogP8.00
Rot. Bonds9

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

10-methoxy-7-[2-[4-[1-[2-(10-methoxy-2-methylpyrido[4,3-c]carbazol-2-ium-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-2-methylpyrido[4,3-c]carbazol-2-ium (PubChem CID 15156567) has the molecular formula C48H54N6O2+2 and a molecular weight of 747.00 g/mol. Its IUPAC name is 10-methoxy-7-[2-[4-[1-[2-(10-methoxy-2-methylpyrido[4,3-c]carbazol-2-ium-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-2-methylpyrido[4,3-c]carbazol-2-ium.

Molecular Properties

Compound Name10-methoxy-7-[2-[4-[1-[2-(10-methoxy-2-methylpyrido[4,3-c]carbazol-2-ium-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-2-methylpyrido[4,3-c]carbazol-2-ium
PubChem CID15156567
Molecular FormulaC48H54N6O2+2
Molecular Weight747.00 g/mol
Exact Mass746.43
IUPAC Name10-methoxy-7-[2-[4-[1-[2-(10-methoxy-2-methylpyrido[4,3-c]carbazol-2-ium-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-2-methylpyrido[4,3-c]carbazol-2-ium
SMILESCOc1ccc2c(c1)c1c3c[n+](C)ccc3ccc1n2CCN1CCC(C2CCN(CCn3c4ccc(OC)cc4c4c5c[n+](C)ccc5ccc43)CC2)CC1
InChIInChI=1S/C48H54N6O2/c1-49-19-13-35-5-9-45-47(41(35)31-49)39-29-37(55-3)7-11-43(39)53(45)27-25-51-21-15-33(16-22-51)34-17-23-52(24-18-34)26-28-54-44-12-8-38(56-4)30-40(44)48-42-32-50(2)20-14-36(42)6-10-46(48)54/h5-14,19-20,29-34H,15-18,21-28H2,1-4H3/q+2
InChIKeyAXXNKWJMKALKFP-UHFFFAOYSA-N
XLogP8.00
TPSA42.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.00
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-7-[2-[4-[1-[2-(10-methoxy-2-methylpyrido[4,3-c]carbazol-2-ium-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-2-methylpyrido[4,3-c]carbazol-2-ium?
The IUPAC name of 10-methoxy-7-[2-[4-[1-[2-(10-methoxy-2-methylpyrido[4,3-c]carbazol-2-ium-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-2-methylpyrido[4,3-c]carbazol-2-ium (CID 15156567) is 10-methoxy-7-[2-[4-[1-[2-(10-methoxy-2-methylpyrido[4,3-c]carbazol-2-ium-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-2-methylpyrido[4,3-c]carbazol-2-ium.
What is the SMILES notation for 10-methoxy-7-[2-[4-[1-[2-(10-methoxy-2-methylpyrido[4,3-c]carbazol-2-ium-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-2-methylpyrido[4,3-c]carbazol-2-ium?
The canonical SMILES for 10-methoxy-7-[2-[4-[1-[2-(10-methoxy-2-methylpyrido[4,3-c]carbazol-2-ium-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-2-methylpyrido[4,3-c]carbazol-2-ium is COc1ccc2c(c1)c1c3c[n+](C)ccc3ccc1n2CCN1CCC(C2CCN(CCn3c4ccc(OC)cc4c4c5c[n+](C)ccc5ccc43)CC2)CC1.
What is the InChIKey of 10-methoxy-7-[2-[4-[1-[2-(10-methoxy-2-methylpyrido[4,3-c]carbazol-2-ium-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-2-methylpyrido[4,3-c]carbazol-2-ium?
The InChIKey is AXXNKWJMKALKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H54N6O2/c1-49-19-13-35-5-9-45-47(41(35)31-49)39-29-37(55-3)7-11-43(39)53(45)27-25-51-21-15-33(16-22-51)34-17-23-52(24-18-34)26-28-54-44-12-8-38(56-4)30-40(44)48-42-32-50(2)20-14-36(42)6-10-46(48)54/h5-14,19-20,29-34H,15-18,21-28H2,1-4H3/q+2.
What are the key properties of 10-methoxy-7-[2-[4-[1-[2-(10-methoxy-2-methylpyrido[4,3-c]carbazol-2-ium-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-2-methylpyrido[4,3-c]carbazol-2-ium?
10-methoxy-7-[2-[4-[1-[2-(10-methoxy-2-methylpyrido[4,3-c]carbazol-2-ium-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-2-methylpyrido[4,3-c]carbazol-2-ium has a molecular weight of 747.00 g/mol, XLogP of 8.00, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-7-[2-[4-[1-[2-(10-methoxy-2-methylpyrido[4,3-c]carbazol-2-ium-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-2-methylpyrido[4,3-c]carbazol-2-ium is sourced from PubChem (CID 15156567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).