2-[10-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)decyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole

C32H42N4 — CID 46223107

IUPAC2-[10-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)decyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESc1ccc2c3c([nH]c2c1)CN(CCCCCCCCCCN1CCc2c([nH]c4ccccc24)C1)CC3
InChIInChI=1S/C32H42N4/c1(3-5-11-19-35-21-17-27-25-13-7-9-15-29(25)33-31(27)23-35)2-4-6-12-20-36-22-18-28-26-14-8-10-16-30(26)34-32(28)24-36/h7-10,13-16,33-34H,1-6,11-12,17-24H2
InChIKeyMPNMJERUXOWHCO-UHFFFAOYSA-N
MW482.72 g/mol
LogP7.19
Rot. Bonds11

About 2-[10-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)decyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole

2-[10-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)decyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 46223107) has the molecular formula C32H42N4 and a molecular weight of 482.72 g/mol. Its IUPAC name is 2-[10-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)decyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name2-[10-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)decyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID46223107
Molecular FormulaC32H42N4
Molecular Weight482.72 g/mol
Exact Mass482.34
IUPAC Name2-[10-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)decyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESc1ccc2c3c([nH]c2c1)CN(CCCCCCCCCCN1CCc2c([nH]c4ccccc24)C1)CC3
InChIInChI=1S/C32H42N4/c1(3-5-11-19-35-21-17-27-25-13-7-9-15-29(25)33-31(27)23-35)2-4-6-12-20-36-22-18-28-26-14-8-10-16-30(26)34-32(28)24-36/h7-10,13-16,33-34H,1-6,11-12,17-24H2
InChIKeyMPNMJERUXOWHCO-UHFFFAOYSA-N
XLogP7.19
TPSA38.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.72
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[10-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)decyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 2-[10-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)decyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 46223107) is 2-[10-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)decyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 2-[10-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)decyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 2-[10-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)decyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole is c1ccc2c3c([nH]c2c1)CN(CCCCCCCCCCN1CCc2c([nH]c4ccccc24)C1)CC3.
What is the InChIKey of 2-[10-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)decyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is MPNMJERUXOWHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4/c1(3-5-11-19-35-21-17-27-25-13-7-9-15-29(25)33-31(27)23-35)2-4-6-12-20-36-22-18-28-26-14-8-10-16-30(26)34-32(28)24-36/h7-10,13-16,33-34H,1-6,11-12,17-24H2.
What are the key properties of 2-[10-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)decyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole?
2-[10-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)decyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 482.72 g/mol, XLogP of 7.19, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)decyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 46223107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).