8-tert-butyl-5,10-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole

C21H25N — CID 138563906

IUPAC8-tert-butyl-5,10-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole
SMILESCC1c2ccccc2C2C1c1cc(C(C)(C)C)ccc1N2C
InChIInChI=1S/C21H25N/c1-13-15-8-6-7-9-16(15)20-19(13)17-12-14(21(2,3)4)10-11-18(17)22(20)5/h6-13,19-20H,1-5H3
InChIKeyDFHZJDPHMUGZBU-UHFFFAOYSA-N
MW291.44 g/mol
LogP5.38
Rot. Bonds

About 8-tert-butyl-5,10-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole

8-tert-butyl-5,10-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole (PubChem CID 138563906) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 8-tert-butyl-5,10-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole.

Molecular Properties

Compound Name8-tert-butyl-5,10-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole
PubChem CID138563906
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name8-tert-butyl-5,10-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole
SMILESCC1c2ccccc2C2C1c1cc(C(C)(C)C)ccc1N2C
InChIInChI=1S/C21H25N/c1-13-15-8-6-7-9-16(15)20-19(13)17-12-14(21(2,3)4)10-11-18(17)22(20)5/h6-13,19-20H,1-5H3
InChIKeyDFHZJDPHMUGZBU-UHFFFAOYSA-N
XLogP5.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_indane(1)', 'substructure': 'N/A'}

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Related Compounds

(8-tert-butyl-9b,10-dihydro-4bH-indeno[1,2-b]indol-5-yl)-trimethyl-λ4-sulfane
CID 167260137
ethane;1,2,3-trimethyl-2,3-dihydroindole
CID 91500184
(2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole
CID 71387028
(8-tert-butyl-10-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-5-yl)methyl-trimethylsilane
CID 140802078
5-tert-butyl-1,3-diphenyl-2H-benzimidazole
CID 155454874
7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
CID 159809006
15,21-ditert-butylhexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,13(18),14,16,19(24),20,22-undecaene
CID 154606120
(1aR,7bS)-3,6-ditert-butyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline
CID 176615638
(1S,8S,15R,19S)-4-tert-butyl-17-naphthalen-1-yl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaene-16,18-dione
CID 163157705
4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 130466941
2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine
CID 135248210
(1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene
CID 58834632

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-5,10-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole?
The IUPAC name of 8-tert-butyl-5,10-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole (CID 138563906) is 8-tert-butyl-5,10-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole.
What is the SMILES notation for 8-tert-butyl-5,10-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole?
The canonical SMILES for 8-tert-butyl-5,10-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole is CC1c2ccccc2C2C1c1cc(C(C)(C)C)ccc1N2C.
What is the InChIKey of 8-tert-butyl-5,10-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole?
The InChIKey is DFHZJDPHMUGZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-13-15-8-6-7-9-16(15)20-19(13)17-12-14(21(2,3)4)10-11-18(17)22(20)5/h6-13,19-20H,1-5H3.
What are the key properties of 8-tert-butyl-5,10-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole?
8-tert-butyl-5,10-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole has a molecular weight of 291.44 g/mol, XLogP of 5.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-5,10-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole is sourced from PubChem (CID 138563906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).