8-tert-butyl-1,2,3,4-tetrahydroindeno[1,2-b]indole

C19H21N — CID 70356019

IUPAC8-tert-butyl-1,2,3,4-tetrahydroindeno[1,2-b]indole
SMILESCC(C)(C)c1ccc2c(c1)=C1C=C3CCCCC3=C1N=2
InChIInChI=1S/C19H21N/c1-19(2,3)13-8-9-17-15(11-13)16-10-12-6-4-5-7-14(12)18(16)20-17/h8-11H,4-7H2,1-3H3
InChIKeyJDYNNGRZQQNXCI-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.54
Rot. Bonds

About 8-tert-butyl-1,2,3,4-tetrahydroindeno[1,2-b]indole

8-tert-butyl-1,2,3,4-tetrahydroindeno[1,2-b]indole (PubChem CID 70356019) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 8-tert-butyl-1,2,3,4-tetrahydroindeno[1,2-b]indole.

Molecular Properties

Compound Name8-tert-butyl-1,2,3,4-tetrahydroindeno[1,2-b]indole
PubChem CID70356019
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name8-tert-butyl-1,2,3,4-tetrahydroindeno[1,2-b]indole
SMILESCC(C)(C)c1ccc2c(c1)=C1C=C3CCCCC3=C1N=2
InChIInChI=1S/C19H21N/c1-19(2,3)13-8-9-17-15(11-13)16-10-12-6-4-5-7-14(12)18(16)20-17/h8-11H,4-7H2,1-3H3
InChIKeyJDYNNGRZQQNXCI-UHFFFAOYSA-N
XLogP3.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-1,2,3,4-tetrahydroindeno[1,2-b]indole?
The IUPAC name of 8-tert-butyl-1,2,3,4-tetrahydroindeno[1,2-b]indole (CID 70356019) is 8-tert-butyl-1,2,3,4-tetrahydroindeno[1,2-b]indole.
What is the SMILES notation for 8-tert-butyl-1,2,3,4-tetrahydroindeno[1,2-b]indole?
The canonical SMILES for 8-tert-butyl-1,2,3,4-tetrahydroindeno[1,2-b]indole is CC(C)(C)c1ccc2c(c1)=C1C=C3CCCCC3=C1N=2.
What is the InChIKey of 8-tert-butyl-1,2,3,4-tetrahydroindeno[1,2-b]indole?
The InChIKey is JDYNNGRZQQNXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-19(2,3)13-8-9-17-15(11-13)16-10-12-6-4-5-7-14(12)18(16)20-17/h8-11H,4-7H2,1-3H3.
What are the key properties of 8-tert-butyl-1,2,3,4-tetrahydroindeno[1,2-b]indole?
8-tert-butyl-1,2,3,4-tetrahydroindeno[1,2-b]indole has a molecular weight of 263.38 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-1,2,3,4-tetrahydroindeno[1,2-b]indole is sourced from PubChem (CID 70356019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).