(4bR,9bS)-8-methoxy-4b,6,10,10-tetramethyl-5,9b-dihydroindeno[1,2-b]indole

C20H23NO — CID 67733888

IUPAC(4bR,9bS)-8-methoxy-4b,6,10,10-tetramethyl-5,9b-dihydroindeno[1,2-b]indole
SMILESCOc1cc(C)c2c(c1)[C@@H]1C(C)(C)c3ccccc3[C@]1(C)N2
InChIInChI=1S/C20H23NO/c1-12-10-13(22-5)11-14-17(12)21-20(4)16-9-7-6-8-15(16)19(2,3)18(14)20/h6-11,18,21H,1-5H3/t18-,20+/m1/s1
InChIKeyZGKBGGJAQUBDFN-QUCCMNQESA-N
MW293.41 g/mol
LogP4.72
Rot. Bonds1

About (4bR,9bS)-8-methoxy-4b,6,10,10-tetramethyl-5,9b-dihydroindeno[1,2-b]indole

(4bR,9bS)-8-methoxy-4b,6,10,10-tetramethyl-5,9b-dihydroindeno[1,2-b]indole (PubChem CID 67733888) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (4bR,9bS)-8-methoxy-4b,6,10,10-tetramethyl-5,9b-dihydroindeno[1,2-b]indole.

Molecular Properties

Compound Name(4bR,9bS)-8-methoxy-4b,6,10,10-tetramethyl-5,9b-dihydroindeno[1,2-b]indole
PubChem CID67733888
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(4bR,9bS)-8-methoxy-4b,6,10,10-tetramethyl-5,9b-dihydroindeno[1,2-b]indole
SMILESCOc1cc(C)c2c(c1)[C@@H]1C(C)(C)c3ccccc3[C@]1(C)N2
InChIInChI=1S/C20H23NO/c1-12-10-13(22-5)11-14-17(12)21-20(4)16-9-7-6-8-15(16)19(2,3)18(14)20/h6-11,18,21H,1-5H3/t18-,20+/m1/s1
InChIKeyZGKBGGJAQUBDFN-QUCCMNQESA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4bR,9bS)-8-methoxy-4b,6,10,10-tetramethyl-5,9b-dihydroindeno[1,2-b]indole?
The IUPAC name of (4bR,9bS)-8-methoxy-4b,6,10,10-tetramethyl-5,9b-dihydroindeno[1,2-b]indole (CID 67733888) is (4bR,9bS)-8-methoxy-4b,6,10,10-tetramethyl-5,9b-dihydroindeno[1,2-b]indole.
What is the SMILES notation for (4bR,9bS)-8-methoxy-4b,6,10,10-tetramethyl-5,9b-dihydroindeno[1,2-b]indole?
The canonical SMILES for (4bR,9bS)-8-methoxy-4b,6,10,10-tetramethyl-5,9b-dihydroindeno[1,2-b]indole is COc1cc(C)c2c(c1)[C@@H]1C(C)(C)c3ccccc3[C@]1(C)N2.
What is the InChIKey of (4bR,9bS)-8-methoxy-4b,6,10,10-tetramethyl-5,9b-dihydroindeno[1,2-b]indole?
The InChIKey is ZGKBGGJAQUBDFN-QUCCMNQESA-N. The full InChI is InChI=1S/C20H23NO/c1-12-10-13(22-5)11-14-17(12)21-20(4)16-9-7-6-8-15(16)19(2,3)18(14)20/h6-11,18,21H,1-5H3/t18-,20+/m1/s1.
What are the key properties of (4bR,9bS)-8-methoxy-4b,6,10,10-tetramethyl-5,9b-dihydroindeno[1,2-b]indole?
(4bR,9bS)-8-methoxy-4b,6,10,10-tetramethyl-5,9b-dihydroindeno[1,2-b]indole has a molecular weight of 293.41 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR,9bS)-8-methoxy-4b,6,10,10-tetramethyl-5,9b-dihydroindeno[1,2-b]indole is sourced from PubChem (CID 67733888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).