5-methyl-8-(7,9,9-trimethylfluoren-2-yl)-4a,8a-dihydroquinoxaline

C25H24N2 — CID 20593667

IUPAC5-methyl-8-(7,9,9-trimethylfluoren-2-yl)-4a,8a-dihydroquinoxaline
SMILESCC1=CC=C(c2ccc3c(c2)C(C)(C)c2cc(C)ccc2-3)C2N=CC=NC12
InChIInChI=1S/C25H24N2/c1-15-5-8-19-20-10-7-17(14-22(20)25(3,4)21(19)13-15)18-9-6-16(2)23-24(18)27-12-11-26-23/h5-14,23-24H,1-4H3
InChIKeyCRKCSDPDRFLSLB-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.54
Rot. Bonds1

About 5-methyl-8-(7,9,9-trimethylfluoren-2-yl)-4a,8a-dihydroquinoxaline

5-methyl-8-(7,9,9-trimethylfluoren-2-yl)-4a,8a-dihydroquinoxaline (PubChem CID 20593667) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 5-methyl-8-(7,9,9-trimethylfluoren-2-yl)-4a,8a-dihydroquinoxaline.

Molecular Properties

Compound Name5-methyl-8-(7,9,9-trimethylfluoren-2-yl)-4a,8a-dihydroquinoxaline
PubChem CID20593667
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name5-methyl-8-(7,9,9-trimethylfluoren-2-yl)-4a,8a-dihydroquinoxaline
SMILESCC1=CC=C(c2ccc3c(c2)C(C)(C)c2cc(C)ccc2-3)C2N=CC=NC12
InChIInChI=1S/C25H24N2/c1-15-5-8-19-20-10-7-17(14-22(20)25(3,4)21(19)13-15)18-9-6-16(2)23-24(18)27-12-11-26-23/h5-14,23-24H,1-4H3
InChIKeyCRKCSDPDRFLSLB-UHFFFAOYSA-N
XLogP5.54
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,4aR,9aR)-1-prop-2-enyl-2,3,4,4a,9,9a-hexahydrofluoren-1-yl]-N-(1-phenylpentyl)methanimine
CID 101845425
4,10,18-Trimethyl-9-azatetracyclo[9.6.1.02,7.012,17]octadeca-2(7),3,5,8,12,14,16-heptaene
CID 21516428
10,14,18-Trimethyl-9-azatetracyclo[9.6.1.02,7.012,17]octadeca-2,4,6,8,12(17),13,15-heptaene
CID 21516448
6-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine
CID 58983035
5-tert-butyl-N-[(1R)-1-phenylethyl]-2,3-dihydroinden-1-imine
CID 67188278
5-tert-butyl-N-(1-phenylethyl)-2,3-dihydroinden-1-imine
CID 67188279
N-[2-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanimine
CID 70596229
3-(9,9-Dimethylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine
CID 89296764
3-(9,9-Diphenylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine
CID 89296766
3-[4-(9,9-Dimethylfluoren-2-yl)phenyl]-10a,12b-dihydropyreno[1,2-b]pyridine
CID 89296767
3-(9,9-Dimethyl-7-phenylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine
CID 89296800
3-[4-(9,9-Dimethylfluoren-2-yl)phenyl]-8-phenyl-10a,12b-dihydropyreno[1,2-b]pyridine
CID 89296805

Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-(7,9,9-trimethylfluoren-2-yl)-4a,8a-dihydroquinoxaline?
The IUPAC name of 5-methyl-8-(7,9,9-trimethylfluoren-2-yl)-4a,8a-dihydroquinoxaline (CID 20593667) is 5-methyl-8-(7,9,9-trimethylfluoren-2-yl)-4a,8a-dihydroquinoxaline.
What is the SMILES notation for 5-methyl-8-(7,9,9-trimethylfluoren-2-yl)-4a,8a-dihydroquinoxaline?
The canonical SMILES for 5-methyl-8-(7,9,9-trimethylfluoren-2-yl)-4a,8a-dihydroquinoxaline is CC1=CC=C(c2ccc3c(c2)C(C)(C)c2cc(C)ccc2-3)C2N=CC=NC12.
What is the InChIKey of 5-methyl-8-(7,9,9-trimethylfluoren-2-yl)-4a,8a-dihydroquinoxaline?
The InChIKey is CRKCSDPDRFLSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2/c1-15-5-8-19-20-10-7-17(14-22(20)25(3,4)21(19)13-15)18-9-6-16(2)23-24(18)27-12-11-26-23/h5-14,23-24H,1-4H3.
What are the key properties of 5-methyl-8-(7,9,9-trimethylfluoren-2-yl)-4a,8a-dihydroquinoxaline?
5-methyl-8-(7,9,9-trimethylfluoren-2-yl)-4a,8a-dihydroquinoxaline has a molecular weight of 352.48 g/mol, XLogP of 5.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-(7,9,9-trimethylfluoren-2-yl)-4a,8a-dihydroquinoxaline is sourced from PubChem (CID 20593667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).