3-[(9S)-1,3-dimethoxy-9H-fluoren-9-yl]-2-methyl-1H-indole

C24H21NO2 — CID 102481519

IUPAC3-[(9S)-1,3-dimethoxy-9H-fluoren-9-yl]-2-methyl-1H-indole
SMILESCOc1cc(OC)c2c(c1)-c1ccccc1[C@H]2c1c(C)[nH]c2ccccc12
InChIInChI=1S/C24H21NO2/c1-14-22(18-10-6-7-11-20(18)25-14)24-17-9-5-4-8-16(17)19-12-15(26-2)13-21(27-3)23(19)24/h4-13,24-25H,1-3H3/t24-/m0/s1
InChIKeyHPWFUPIZOJEPFQ-DEOSSOPVSA-N
MW355.44 g/mol
LogP5.65
Rot. Bonds3

About 3-[(9S)-1,3-dimethoxy-9H-fluoren-9-yl]-2-methyl-1H-indole

3-[(9S)-1,3-dimethoxy-9H-fluoren-9-yl]-2-methyl-1H-indole (PubChem CID 102481519) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[(9S)-1,3-dimethoxy-9H-fluoren-9-yl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[(9S)-1,3-dimethoxy-9H-fluoren-9-yl]-2-methyl-1H-indole
PubChem CID102481519
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name3-[(9S)-1,3-dimethoxy-9H-fluoren-9-yl]-2-methyl-1H-indole
SMILESCOc1cc(OC)c2c(c1)-c1ccccc1[C@H]2c1c(C)[nH]c2ccccc12
InChIInChI=1S/C24H21NO2/c1-14-22(18-10-6-7-11-20(18)25-14)24-17-9-5-4-8-16(17)19-12-15(26-2)13-21(27-3)23(19)24/h4-13,24-25H,1-3H3/t24-/m0/s1
InChIKeyHPWFUPIZOJEPFQ-DEOSSOPVSA-N
XLogP5.65
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(9S)-1,3-dimethoxy-9H-fluoren-9-yl]-2-methyl-1H-indole?
The IUPAC name of 3-[(9S)-1,3-dimethoxy-9H-fluoren-9-yl]-2-methyl-1H-indole (CID 102481519) is 3-[(9S)-1,3-dimethoxy-9H-fluoren-9-yl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[(9S)-1,3-dimethoxy-9H-fluoren-9-yl]-2-methyl-1H-indole?
The canonical SMILES for 3-[(9S)-1,3-dimethoxy-9H-fluoren-9-yl]-2-methyl-1H-indole is COc1cc(OC)c2c(c1)-c1ccccc1[C@H]2c1c(C)[nH]c2ccccc12.
What is the InChIKey of 3-[(9S)-1,3-dimethoxy-9H-fluoren-9-yl]-2-methyl-1H-indole?
The InChIKey is HPWFUPIZOJEPFQ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21NO2/c1-14-22(18-10-6-7-11-20(18)25-14)24-17-9-5-4-8-16(17)19-12-15(26-2)13-21(27-3)23(19)24/h4-13,24-25H,1-3H3/t24-/m0/s1.
What are the key properties of 3-[(9S)-1,3-dimethoxy-9H-fluoren-9-yl]-2-methyl-1H-indole?
3-[(9S)-1,3-dimethoxy-9H-fluoren-9-yl]-2-methyl-1H-indole has a molecular weight of 355.44 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(9S)-1,3-dimethoxy-9H-fluoren-9-yl]-2-methyl-1H-indole is sourced from PubChem (CID 102481519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).