8-methyl-5-(4-propylheptyl)-9b,10-dihydro-4bH-indeno[1,2-b]indole

C26H35N — CID 139339685

IUPAC8-methyl-5-(4-propylheptyl)-9b,10-dihydro-4bH-indeno[1,2-b]indole
SMILESCCCC(CCC)CCCN1c2ccc(C)cc2C2Cc3ccccc3C21
InChIInChI=1S/C26H35N/c1-4-9-20(10-5-2)11-8-16-27-25-15-14-19(3)17-23(25)24-18-21-12-6-7-13-22(21)26(24)27/h6-7,12-15,17,20,24,26H,4-5,8-11,16,18H2,1-3H3
InChIKeyYKYZGURXEKUCJS-UHFFFAOYSA-N
MW361.57 g/mol
LogP7.19
Rot. Bonds8

About 8-methyl-5-(4-propylheptyl)-9b,10-dihydro-4bH-indeno[1,2-b]indole

8-methyl-5-(4-propylheptyl)-9b,10-dihydro-4bH-indeno[1,2-b]indole (PubChem CID 139339685) has the molecular formula C26H35N and a molecular weight of 361.57 g/mol. Its IUPAC name is 8-methyl-5-(4-propylheptyl)-9b,10-dihydro-4bH-indeno[1,2-b]indole.

Molecular Properties

Compound Name8-methyl-5-(4-propylheptyl)-9b,10-dihydro-4bH-indeno[1,2-b]indole
PubChem CID139339685
Molecular FormulaC26H35N
Molecular Weight361.57 g/mol
Exact Mass361.28
IUPAC Name8-methyl-5-(4-propylheptyl)-9b,10-dihydro-4bH-indeno[1,2-b]indole
SMILESCCCC(CCC)CCCN1c2ccc(C)cc2C2Cc3ccccc3C21
InChIInChI=1S/C26H35N/c1-4-9-20(10-5-2)11-8-16-27-25-15-14-19(3)17-23(25)24-18-21-12-6-7-13-22(21)26(24)27/h6-7,12-15,17,20,24,26H,4-5,8-11,16,18H2,1-3H3
InChIKeyYKYZGURXEKUCJS-UHFFFAOYSA-N
XLogP7.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 57.19
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

(4bS,9bR)-5,8-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole
CID 57298321
5-prop-2-enyl-9b,10-dihydro-4bH-indeno[1,2-b]indole
CID 67733933
(10bR)-6-benzyl-2,9-dimethyl-1,3,4,5,5a,10b-hexahydroazepino[4,3-b]indole
CID 58147095
(8-tert-butyl-9b,10-dihydro-4bH-indeno[1,2-b]indol-5-yl)-trimethyl-λ4-sulfane
CID 167260137
5-butyl-2-methyl-6H-phenanthridine-6-carbaldehyde
CID 174677828
2-methyl-5-methylsulfanyl-6,10b-dihydro-5aH-indeno[2,1-b]indole
CID 167260143
3-benzyl-1,5-dimethyl-2,3-dihydroindole
CID 83960221
(2aS,7bS)-1-(hydroxymethyl)-3,7b-dihydro-2aH-indeno[1,2-b]azet-2-one
CID 11159789
5-methyl-2-propyl-1,3-dihydroisoindole
CID 130841289
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol
CID 64987075
3-benzyl-1-ethyl-5-methyl-2,3-dihydroindole
CID 83960227
(3aR)-2,4,7-trimethyl-1,3,3a,8b-tetrahydropyrrolo[3,4-b]indole
CID 143637572

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-(4-propylheptyl)-9b,10-dihydro-4bH-indeno[1,2-b]indole?
The IUPAC name of 8-methyl-5-(4-propylheptyl)-9b,10-dihydro-4bH-indeno[1,2-b]indole (CID 139339685) is 8-methyl-5-(4-propylheptyl)-9b,10-dihydro-4bH-indeno[1,2-b]indole.
What is the SMILES notation for 8-methyl-5-(4-propylheptyl)-9b,10-dihydro-4bH-indeno[1,2-b]indole?
The canonical SMILES for 8-methyl-5-(4-propylheptyl)-9b,10-dihydro-4bH-indeno[1,2-b]indole is CCCC(CCC)CCCN1c2ccc(C)cc2C2Cc3ccccc3C21.
What is the InChIKey of 8-methyl-5-(4-propylheptyl)-9b,10-dihydro-4bH-indeno[1,2-b]indole?
The InChIKey is YKYZGURXEKUCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N/c1-4-9-20(10-5-2)11-8-16-27-25-15-14-19(3)17-23(25)24-18-21-12-6-7-13-22(21)26(24)27/h6-7,12-15,17,20,24,26H,4-5,8-11,16,18H2,1-3H3.
What are the key properties of 8-methyl-5-(4-propylheptyl)-9b,10-dihydro-4bH-indeno[1,2-b]indole?
8-methyl-5-(4-propylheptyl)-9b,10-dihydro-4bH-indeno[1,2-b]indole has a molecular weight of 361.57 g/mol, XLogP of 7.19, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-(4-propylheptyl)-9b,10-dihydro-4bH-indeno[1,2-b]indole is sourced from PubChem (CID 139339685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).