(5aS,10bS)-9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole;(5aS,10bS)-9-propan-2-yl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole

C34H34N2O — CID 70355656

IUPAC(5aS,10bS)-9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole;(5aS,10bS)-9-propan-2-yl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole
SMILESCC(C)c1ccc2c(c1)[C@H]1c3ccccc3N[C@H]1C2.COc1ccc2c(c1)[C@H]1c3ccccc3N[C@H]1C2
InChIInChI=1S/C18H19N.C16H15NO/c1-11(2)12-7-8-13-10-17-18(15(13)9-12)14-5-3-4-6-16(14)19-17;1-18-11-7-6-10-8-15-16(13(10)9-11)12-4-2-3-5-14(12)17-15/h3-9,11,17-19H,10H2,1-2H3;2-7,9,15-17H,8H2,1H3/t17-,18+;15-,16+/m00/s1
InChIKeyRUXBJNXPLISIAU-WQFFCJPNSA-N
MW486.66 g/mol
LogP7.47
Rot. Bonds2

About (5aS,10bS)-9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole;(5aS,10bS)-9-propan-2-yl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole

(5aS,10bS)-9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole;(5aS,10bS)-9-propan-2-yl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole (PubChem CID 70355656) has the molecular formula C34H34N2O and a molecular weight of 486.66 g/mol. Its IUPAC name is (5aS,10bS)-9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole;(5aS,10bS)-9-propan-2-yl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole.

Molecular Properties

Compound Name(5aS,10bS)-9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole;(5aS,10bS)-9-propan-2-yl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole
PubChem CID70355656
Molecular FormulaC34H34N2O
Molecular Weight486.66 g/mol
Exact Mass486.27
IUPAC Name(5aS,10bS)-9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole;(5aS,10bS)-9-propan-2-yl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole
SMILESCC(C)c1ccc2c(c1)[C@H]1c3ccccc3N[C@H]1C2.COc1ccc2c(c1)[C@H]1c3ccccc3N[C@H]1C2
InChIInChI=1S/C18H19N.C16H15NO/c1-11(2)12-7-8-13-10-17-18(15(13)9-12)14-5-3-4-6-16(14)19-17;1-18-11-7-6-10-8-15-16(13(10)9-11)12-4-2-3-5-14(12)17-15/h3-9,11,17-19H,10H2,1-2H3;2-7,9,15-17H,8H2,1H3/t17-,18+;15-,16+/m00/s1
InChIKeyRUXBJNXPLISIAU-WQFFCJPNSA-N
XLogP7.47
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5aS,10bS)-9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole;(5aS,10bS)-9-propan-2-yl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole with MolForge

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Related Compounds

9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole
CID 22408501
(4bS,9bR)-8-propan-2-yl-4b,5,9b,10-tetrahydroindeno[1,2-b]indole
CID 1229702
3-methoxy-6-methyl-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine
CID 115825727
(1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine
CID 10562844
7-fluoro-3-methoxy-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine
CID 115825652
(9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 58294510
(2S,4R)-6-methoxy-4-phenyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 23237017
(2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
CID 129404319
(1R,9S,10S)-4-propan-2-yl-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol
CID 140872964
6-methoxy-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol
CID 79371785
2-[3-(4-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-2,3-dihydro-1H-indole
CID 130260368
(2S,4R)-4-ethenyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 102052144

Frequently Asked Questions

What is the IUPAC name of (5aS,10bS)-9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole;(5aS,10bS)-9-propan-2-yl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole?
The IUPAC name of (5aS,10bS)-9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole;(5aS,10bS)-9-propan-2-yl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole (CID 70355656) is (5aS,10bS)-9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole;(5aS,10bS)-9-propan-2-yl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole.
What is the SMILES notation for (5aS,10bS)-9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole;(5aS,10bS)-9-propan-2-yl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole?
The canonical SMILES for (5aS,10bS)-9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole;(5aS,10bS)-9-propan-2-yl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole is CC(C)c1ccc2c(c1)[C@H]1c3ccccc3N[C@H]1C2.COc1ccc2c(c1)[C@H]1c3ccccc3N[C@H]1C2.
What is the InChIKey of (5aS,10bS)-9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole;(5aS,10bS)-9-propan-2-yl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole?
The InChIKey is RUXBJNXPLISIAU-WQFFCJPNSA-N. The full InChI is InChI=1S/C18H19N.C16H15NO/c1-11(2)12-7-8-13-10-17-18(15(13)9-12)14-5-3-4-6-16(14)19-17;1-18-11-7-6-10-8-15-16(13(10)9-11)12-4-2-3-5-14(12)17-15/h3-9,11,17-19H,10H2,1-2H3;2-7,9,15-17H,8H2,1H3/t17-,18+;15-,16+/m00/s1.
What are the key properties of (5aS,10bS)-9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole;(5aS,10bS)-9-propan-2-yl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole?
(5aS,10bS)-9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole;(5aS,10bS)-9-propan-2-yl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole has a molecular weight of 486.66 g/mol, XLogP of 7.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5aS,10bS)-9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole;(5aS,10bS)-9-propan-2-yl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole is sourced from PubChem (CID 70355656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).