(2S)-1-[[3-ethyl-5-(9H-fluoren-1-yl)phenyl]methyl]-2,3-dimethyl-2,3-dihydroindole

C32H31N — CID 118154701

IUPAC(2S)-1-[[3-ethyl-5-(9H-fluoren-1-yl)phenyl]methyl]-2,3-dimethyl-2,3-dihydroindole
SMILESCCc1cc(CN2c3ccccc3C(C)[C@@H]2C)cc(-c2cccc3c2Cc2ccccc2-3)c1
InChIInChI=1S/C32H31N/c1-4-23-16-24(20-33-22(3)21(2)27-11-7-8-15-32(27)33)18-26(17-23)29-13-9-14-30-28-12-6-5-10-25(28)19-31(29)30/h5-18,21-22H,4,19-20H2,1-3H3/t21?,22-/m0/s1
InChIKeyMWOCLEOCJYTVJK-KEKNWZKVSA-N
MW429.61 g/mol
LogP8.00
Rot. Bonds4

About (2S)-1-[[3-ethyl-5-(9H-fluoren-1-yl)phenyl]methyl]-2,3-dimethyl-2,3-dihydroindole

(2S)-1-[[3-ethyl-5-(9H-fluoren-1-yl)phenyl]methyl]-2,3-dimethyl-2,3-dihydroindole (PubChem CID 118154701) has the molecular formula C32H31N and a molecular weight of 429.61 g/mol. Its IUPAC name is (2S)-1-[[3-ethyl-5-(9H-fluoren-1-yl)phenyl]methyl]-2,3-dimethyl-2,3-dihydroindole.

Molecular Properties

Compound Name(2S)-1-[[3-ethyl-5-(9H-fluoren-1-yl)phenyl]methyl]-2,3-dimethyl-2,3-dihydroindole
PubChem CID118154701
Molecular FormulaC32H31N
Molecular Weight429.61 g/mol
Exact Mass429.25
IUPAC Name(2S)-1-[[3-ethyl-5-(9H-fluoren-1-yl)phenyl]methyl]-2,3-dimethyl-2,3-dihydroindole
SMILESCCc1cc(CN2c3ccccc3C(C)[C@@H]2C)cc(-c2cccc3c2Cc2ccccc2-3)c1
InChIInChI=1S/C32H31N/c1-4-23-16-24(20-33-22(3)21(2)27-11-7-8-15-32(27)33)18-26(17-23)29-13-9-14-30-28-12-6-5-10-25(28)19-31(29)30/h5-18,21-22H,4,19-20H2,1-3H3/t21?,22-/m0/s1
InChIKeyMWOCLEOCJYTVJK-KEKNWZKVSA-N
XLogP8.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.61
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S)-1-[[3-ethyl-5-(9H-fluoren-1-yl)phenyl]methyl]-2,3-dimethyl-2,3-dihydroindole with MolForge

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Related Compounds

4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol
CID 151971202
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
2,3-dimethyl-1-propyl-2,3-dihydroindole
CID 161026697
1,2-bis(4-ethylphenyl)-9H-fluorene
CID 151520467
1-(3,5-dimethoxyphenyl)-9H-fluorene
CID 152594732
5-(9H-fluoren-1-yl)benzene-1,3-dicarbonitrile
CID 172779632
1,4-bis(4-ethylphenyl)-9H-fluorene
CID 101426750
1-(3-ethyl-9H-fluoren-1-yl)propan-1-ol
CID 151866764
ethane;1-ethyl-9H-fluorene;propane
CID 167686584
3-ethyl-9-(9H-fluoren-1-ylmethyl)carbazole
CID 118149246
2-butyl-4-(9H-fluoren-1-yl)phenol
CID 139434152
1-[3-(3-methylphenyl)phenyl]-9H-fluorene
CID 159755340

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[3-ethyl-5-(9H-fluoren-1-yl)phenyl]methyl]-2,3-dimethyl-2,3-dihydroindole?
The IUPAC name of (2S)-1-[[3-ethyl-5-(9H-fluoren-1-yl)phenyl]methyl]-2,3-dimethyl-2,3-dihydroindole (CID 118154701) is (2S)-1-[[3-ethyl-5-(9H-fluoren-1-yl)phenyl]methyl]-2,3-dimethyl-2,3-dihydroindole.
What is the SMILES notation for (2S)-1-[[3-ethyl-5-(9H-fluoren-1-yl)phenyl]methyl]-2,3-dimethyl-2,3-dihydroindole?
The canonical SMILES for (2S)-1-[[3-ethyl-5-(9H-fluoren-1-yl)phenyl]methyl]-2,3-dimethyl-2,3-dihydroindole is CCc1cc(CN2c3ccccc3C(C)[C@@H]2C)cc(-c2cccc3c2Cc2ccccc2-3)c1.
What is the InChIKey of (2S)-1-[[3-ethyl-5-(9H-fluoren-1-yl)phenyl]methyl]-2,3-dimethyl-2,3-dihydroindole?
The InChIKey is MWOCLEOCJYTVJK-KEKNWZKVSA-N. The full InChI is InChI=1S/C32H31N/c1-4-23-16-24(20-33-22(3)21(2)27-11-7-8-15-32(27)33)18-26(17-23)29-13-9-14-30-28-12-6-5-10-25(28)19-31(29)30/h5-18,21-22H,4,19-20H2,1-3H3/t21?,22-/m0/s1.
What are the key properties of (2S)-1-[[3-ethyl-5-(9H-fluoren-1-yl)phenyl]methyl]-2,3-dimethyl-2,3-dihydroindole?
(2S)-1-[[3-ethyl-5-(9H-fluoren-1-yl)phenyl]methyl]-2,3-dimethyl-2,3-dihydroindole has a molecular weight of 429.61 g/mol, XLogP of 8.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[3-ethyl-5-(9H-fluoren-1-yl)phenyl]methyl]-2,3-dimethyl-2,3-dihydroindole is sourced from PubChem (CID 118154701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).