methanesulfonic acid;10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole

C48H56N6O8S2 — CID 46877580

IUPACmethanesulfonic acid;10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole
SMILESCOc1ccc2c(c1)c1c3cnccc3ccc1n2CCN1CCC(C2CCN(CCn3c4ccc(OC)cc4c4c5cnccc5ccc43)CC2)CC1.CS(=O)(=O)O.CS(=O)(=O)O
InChIInChI=1S/C46H48N6O2.2CH4O3S/c1-53-35-5-9-41-37(27-35)45-39-29-47-17-11-33(39)3-7-43(45)51(41)25-23-49-19-13-31(14-20-49)32-15-21-50(22-16-32)24-26-52-42-10-6-36(54-2)28-38(42)46-40-30-48-18-12-34(40)4-8-44(46)52;2*1-5(2,3)4/h3-12,17-18,27-32H,13-16,19-26H2,1-2H3;2*1H3,(H,2,3,4)
InChIKeyMJRATQIPWTURDE-UHFFFAOYSA-N
MW909.14 g/mol
LogP8.15
Rot. Bonds9

About methanesulfonic acid;10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole

methanesulfonic acid;10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole (PubChem CID 46877580) has the molecular formula C48H56N6O8S2 and a molecular weight of 909.14 g/mol. Its IUPAC name is methanesulfonic acid;10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole.

Molecular Properties

Compound Namemethanesulfonic acid;10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole
PubChem CID46877580
Molecular FormulaC48H56N6O8S2
Molecular Weight909.14 g/mol
Exact Mass908.36
IUPAC Namemethanesulfonic acid;10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole
SMILESCOc1ccc2c(c1)c1c3cnccc3ccc1n2CCN1CCC(C2CCN(CCn3c4ccc(OC)cc4c4c5cnccc5ccc43)CC2)CC1.CS(=O)(=O)O.CS(=O)(=O)O
InChIInChI=1S/C46H48N6O2.2CH4O3S/c1-53-35-5-9-41-37(27-35)45-39-29-47-17-11-33(39)3-7-43(45)51(41)25-23-49-19-13-31(14-20-49)32-15-21-50(22-16-32)24-26-52-42-10-6-36(54-2)28-38(42)46-40-30-48-18-12-34(40)4-8-44(46)52;2*1-5(2,3)4/h3-12,17-18,27-32H,13-16,19-26H2,1-2H3;2*1H3,(H,2,3,4)
InChIKeyMJRATQIPWTURDE-UHFFFAOYSA-N
XLogP8.15
TPSA169.32 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500909.14
LogP ≤ 58.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze methanesulfonic acid;10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole?
The IUPAC name of methanesulfonic acid;10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole (CID 46877580) is methanesulfonic acid;10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole.
What is the SMILES notation for methanesulfonic acid;10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole?
The canonical SMILES for methanesulfonic acid;10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole is COc1ccc2c(c1)c1c3cnccc3ccc1n2CCN1CCC(C2CCN(CCn3c4ccc(OC)cc4c4c5cnccc5ccc43)CC2)CC1.CS(=O)(=O)O.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole?
The InChIKey is MJRATQIPWTURDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N6O2.2CH4O3S/c1-53-35-5-9-41-37(27-35)45-39-29-47-17-11-33(39)3-7-43(45)51(41)25-23-49-19-13-31(14-20-49)32-15-21-50(22-16-32)24-26-52-42-10-6-36(54-2)28-38(42)46-40-30-48-18-12-34(40)4-8-44(46)52;2*1-5(2,3)4/h3-12,17-18,27-32H,13-16,19-26H2,1-2H3;2*1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole?
methanesulfonic acid;10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole has a molecular weight of 909.14 g/mol, XLogP of 8.15, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;10-methoxy-7-[2-[4-[1-[2-(10-methoxypyrido[4,3-c]carbazol-7-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]pyrido[4,3-c]carbazole is sourced from PubChem (CID 46877580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).