8-methyl-2-[6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole

C30H38N4 — CID 71740897

IUPAC8-methyl-2-[6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCc1ccc2[nH]c3c(c2c1)CN(CCCCCCN1CCc2[nH]c4ccc(C)cc4c2C1)CC3
InChIInChI=1S/C30H38N4/c1-21-7-9-27-23(17-21)25-19-33(15-11-29(25)31-27)13-5-3-4-6-14-34-16-12-30-26(20-34)24-18-22(2)8-10-28(24)32-30/h7-10,17-18,31-32H,3-6,11-16,19-20H2,1-2H3
InChIKeyQKWIPFQYVMSHKA-UHFFFAOYSA-N
MW454.66 g/mol
LogP6.24
Rot. Bonds7

About 8-methyl-2-[6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole

8-methyl-2-[6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 71740897) has the molecular formula C30H38N4 and a molecular weight of 454.66 g/mol. Its IUPAC name is 8-methyl-2-[6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name8-methyl-2-[6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID71740897
Molecular FormulaC30H38N4
Molecular Weight454.66 g/mol
Exact Mass454.31
IUPAC Name8-methyl-2-[6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCc1ccc2[nH]c3c(c2c1)CN(CCCCCCN1CCc2[nH]c4ccc(C)cc4c2C1)CC3
InChIInChI=1S/C30H38N4/c1-21-7-9-27-23(17-21)25-19-33(15-11-29(25)31-27)13-5-3-4-6-14-34-16-12-30-26(20-34)24-18-22(2)8-10-28(24)32-30/h7-10,17-18,31-32H,3-6,11-16,19-20H2,1-2H3
InChIKeyQKWIPFQYVMSHKA-UHFFFAOYSA-N
XLogP6.24
TPSA38.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.66
LogP ≤ 56.24
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 8-methyl-2-[6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 8-methyl-2-[6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 71740897) is 8-methyl-2-[6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 8-methyl-2-[6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 8-methyl-2-[6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole is Cc1ccc2[nH]c3c(c2c1)CN(CCCCCCN1CCc2[nH]c4ccc(C)cc4c2C1)CC3.
What is the InChIKey of 8-methyl-2-[6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is QKWIPFQYVMSHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4/c1-21-7-9-27-23(17-21)25-19-33(15-11-29(25)31-27)13-5-3-4-6-14-34-16-12-30-26(20-34)24-18-22(2)8-10-28(24)32-30/h7-10,17-18,31-32H,3-6,11-16,19-20H2,1-2H3.
What are the key properties of 8-methyl-2-[6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole?
8-methyl-2-[6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 454.66 g/mol, XLogP of 6.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[6-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 71740897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).