3-tert-butyl-1-[2-(7-methyl-1H-indol-3-yl)propyl]indole

C24H28N2 — CID 174363711

IUPAC3-tert-butyl-1-[2-(7-methyl-1H-indol-3-yl)propyl]indole
SMILESCc1cccc2c(C(C)Cn3cc(C(C)(C)C)c4ccccc43)c[nH]c12
InChIInChI=1S/C24H28N2/c1-16-9-8-11-18-20(13-25-23(16)18)17(2)14-26-15-21(24(3,4)5)19-10-6-7-12-22(19)26/h6-13,15,17,25H,14H2,1-5H3
InChIKeyIGVPAFSULMAMEG-UHFFFAOYSA-N
MW344.50 g/mol
LogP6.53
Rot. Bonds3

About 3-tert-butyl-1-[2-(7-methyl-1H-indol-3-yl)propyl]indole

3-tert-butyl-1-[2-(7-methyl-1H-indol-3-yl)propyl]indole (PubChem CID 174363711) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 3-tert-butyl-1-[2-(7-methyl-1H-indol-3-yl)propyl]indole.

Molecular Properties

Compound Name3-tert-butyl-1-[2-(7-methyl-1H-indol-3-yl)propyl]indole
PubChem CID174363711
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name3-tert-butyl-1-[2-(7-methyl-1H-indol-3-yl)propyl]indole
SMILESCc1cccc2c(C(C)Cn3cc(C(C)(C)C)c4ccccc43)c[nH]c12
InChIInChI=1S/C24H28N2/c1-16-9-8-11-18-20(13-25-23(16)18)17(2)14-26-15-21(24(3,4)5)19-10-6-7-12-22(19)26/h6-13,15,17,25H,14H2,1-5H3
InChIKeyIGVPAFSULMAMEG-UHFFFAOYSA-N
XLogP6.53
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[2-(7-methyl-1H-indol-3-yl)propyl]indole?
The IUPAC name of 3-tert-butyl-1-[2-(7-methyl-1H-indol-3-yl)propyl]indole (CID 174363711) is 3-tert-butyl-1-[2-(7-methyl-1H-indol-3-yl)propyl]indole.
What is the SMILES notation for 3-tert-butyl-1-[2-(7-methyl-1H-indol-3-yl)propyl]indole?
The canonical SMILES for 3-tert-butyl-1-[2-(7-methyl-1H-indol-3-yl)propyl]indole is Cc1cccc2c(C(C)Cn3cc(C(C)(C)C)c4ccccc43)c[nH]c12.
What is the InChIKey of 3-tert-butyl-1-[2-(7-methyl-1H-indol-3-yl)propyl]indole?
The InChIKey is IGVPAFSULMAMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-16-9-8-11-18-20(13-25-23(16)18)17(2)14-26-15-21(24(3,4)5)19-10-6-7-12-22(19)26/h6-13,15,17,25H,14H2,1-5H3.
What are the key properties of 3-tert-butyl-1-[2-(7-methyl-1H-indol-3-yl)propyl]indole?
3-tert-butyl-1-[2-(7-methyl-1H-indol-3-yl)propyl]indole has a molecular weight of 344.50 g/mol, XLogP of 6.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[2-(7-methyl-1H-indol-3-yl)propyl]indole is sourced from PubChem (CID 174363711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).