1-(6-indol-1-ylhexyl)indole

C22H24N2 — CID 45270972

IUPAC1-(6-indol-1-ylhexyl)indole
SMILESc1ccc2c(c1)ccn2CCCCCCn1ccc2ccccc21
InChIInChI=1S/C22H24N2/c1(7-15-23-17-13-19-9-3-5-11-21(19)23)2-8-16-24-18-14-20-10-4-6-12-22(20)24/h3-6,9-14,17-18H,1-2,7-8,15-16H2
InChIKeyXLZUAKDSMJZORZ-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.86
Rot. Bonds7

About 1-(6-indol-1-ylhexyl)indole

1-(6-indol-1-ylhexyl)indole (PubChem CID 45270972) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-(6-indol-1-ylhexyl)indole.

Molecular Properties

Compound Name1-(6-indol-1-ylhexyl)indole
PubChem CID45270972
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name1-(6-indol-1-ylhexyl)indole
SMILESc1ccc2c(c1)ccn2CCCCCCn1ccc2ccccc21
InChIInChI=1S/C22H24N2/c1(7-15-23-17-13-19-9-3-5-11-21(19)23)2-8-16-24-18-14-20-10-4-6-12-22(20)24/h3-6,9-14,17-18H,1-2,7-8,15-16H2
InChIKeyXLZUAKDSMJZORZ-UHFFFAOYSA-N
XLogP5.86
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dimethyltryptamine
CID 6089
3,3'-Diindolylmethane
CID 3071
Latrepirdine
CID 197033
Iprindole
CID 21722
N,N-Diethyltryptamine
CID 6090
Mebhydrolin
CID 22530
Ethanone, 1-(1H-indol-1-yl)-
CID 68470
Besipirdine
CID 60691
1-Methyl-1H-indole-3-ethylamine
CID 23492
N-ethyl carbazole
CID 6836
N-Vinylcarbazole
CID 15143
1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
CID 4722579

Frequently Asked Questions

What is the IUPAC name of 1-(6-indol-1-ylhexyl)indole?
The IUPAC name of 1-(6-indol-1-ylhexyl)indole (CID 45270972) is 1-(6-indol-1-ylhexyl)indole.
What is the SMILES notation for 1-(6-indol-1-ylhexyl)indole?
The canonical SMILES for 1-(6-indol-1-ylhexyl)indole is c1ccc2c(c1)ccn2CCCCCCn1ccc2ccccc21.
What is the InChIKey of 1-(6-indol-1-ylhexyl)indole?
The InChIKey is XLZUAKDSMJZORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1(7-15-23-17-13-19-9-3-5-11-21(19)23)2-8-16-24-18-14-20-10-4-6-12-22(20)24/h3-6,9-14,17-18H,1-2,7-8,15-16H2.
What are the key properties of 1-(6-indol-1-ylhexyl)indole?
1-(6-indol-1-ylhexyl)indole has a molecular weight of 316.45 g/mol, XLogP of 5.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-indol-1-ylhexyl)indole is sourced from PubChem (CID 45270972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).