6-[2-[7-[2-(2,3-dihydropyridin-2-yl)ethenyl]-9,9-diethyl-4b,8a-dihydrofluoren-2-yl]ethyl]-1-methyl-2H-pyridine

C32H38N2 — CID 90887816

IUPAC6-[2-[7-[2-(2,3-dihydropyridin-2-yl)ethenyl]-9,9-diethyl-4b,8a-dihydrofluoren-2-yl]ethyl]-1-methyl-2H-pyridine
SMILESCCC1(CC)c2cc(CCC3=CC=CCN3C)ccc2C2C=CC(C=CC3CC=CC=N3)=CC21
InChIInChI=1S/C32H38N2/c1-4-32(5-2)30-22-24(12-16-26-10-6-8-20-33-26)14-18-28(30)29-19-15-25(23-31(29)32)13-17-27-11-7-9-21-34(27)3/h6-9,11-12,14-16,18-20,22-23,26,28,30H,4-5,10,13,17,21H2,1-3H3
InChIKeyWQBNTKKQQMNEIA-UHFFFAOYSA-N
MW450.67 g/mol
LogP7.23
Rot. Bonds7

About 6-[2-[7-[2-(2,3-dihydropyridin-2-yl)ethenyl]-9,9-diethyl-4b,8a-dihydrofluoren-2-yl]ethyl]-1-methyl-2H-pyridine

6-[2-[7-[2-(2,3-dihydropyridin-2-yl)ethenyl]-9,9-diethyl-4b,8a-dihydrofluoren-2-yl]ethyl]-1-methyl-2H-pyridine (PubChem CID 90887816) has the molecular formula C32H38N2 and a molecular weight of 450.67 g/mol. Its IUPAC name is 6-[2-[7-[2-(2,3-dihydropyridin-2-yl)ethenyl]-9,9-diethyl-4b,8a-dihydrofluoren-2-yl]ethyl]-1-methyl-2H-pyridine.

Molecular Properties

Compound Name6-[2-[7-[2-(2,3-dihydropyridin-2-yl)ethenyl]-9,9-diethyl-4b,8a-dihydrofluoren-2-yl]ethyl]-1-methyl-2H-pyridine
PubChem CID90887816
Molecular FormulaC32H38N2
Molecular Weight450.67 g/mol
Exact Mass450.30
IUPAC Name6-[2-[7-[2-(2,3-dihydropyridin-2-yl)ethenyl]-9,9-diethyl-4b,8a-dihydrofluoren-2-yl]ethyl]-1-methyl-2H-pyridine
SMILESCCC1(CC)c2cc(CCC3=CC=CCN3C)ccc2C2C=CC(C=CC3CC=CC=N3)=CC21
InChIInChI=1S/C32H38N2/c1-4-32(5-2)30-22-24(12-16-26-10-6-8-20-33-26)14-18-28(30)29-19-15-25(23-31(29)32)13-17-27-11-7-9-21-34(27)3/h6-9,11-12,14-16,18-20,22-23,26,28,30H,4-5,10,13,17,21H2,1-3H3
InChIKeyWQBNTKKQQMNEIA-UHFFFAOYSA-N
XLogP7.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.67
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-cyclohexa-1,5-dien-1-yl-7-cyclohex-2-en-1-yl-N-[6-(cyclohexen-1-yl)cyclohexen-1-yl]-5-fluoro-N-(4-methylcyclohex-2-en-1-yl)-3,4,9,10,11,11a-hexahydrobenzo[g]fluoren-9-amine
CID 137504938
3-[(2Z)-2-[(2E,4E,6E)-7-[5-fluoro-3,3-dimethyl-1-[3-(trimethylazaniumyl)propyl]-3a,4,5,6,7,7a-hexahydroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3,5-trimethyl-1H-inden-1-yl]propyl-trimethylazanium
CID 160509905
5-Methyl-8-(7,9,9-trimethylfluoren-2-yl)-4a,8a-dihydroquinoxaline
CID 20593667
N-(4-tert-butylcyclohexa-1,5-dien-1-yl)-N-(4-tert-butylcyclohexa-2,4-dien-1-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,7,9,14,16,18,20,23-decaen-9-amine
CID 88542954
2',7'-ditert-butyl-N-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-N-(6-phenylcyclohexa-1,5-dien-1-yl)spiro[3,4,5,6-tetrahydrofluorene-9,9'-3,4-dihydrofluorene]-2-amine
CID 88555913
19-N-cyclohexa-1,3-dien-1-yl-9-N-cyclohexa-1,5-dien-1-yl-9-N,19-N-di(cyclohexa-2,4-dien-1-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,7,9,13,15(23),17,19-nonaene-9,19-diamine
CID 88874066
N-cyclohexa-1,5-dien-1-yl-7-[2-[4-[di(cyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]-N-[(1E,5Z)-hepta-1,5-dienyl]-9,9-dimethyl-2,3-dihydrofluoren-2-amine
CID 89189599
3-(9,9-Dimethylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine
CID 89296764
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-(9,9-Dimethyl-7-phenylfluoren-2-yl)-3,3a,10a,12b-tetrahydropyreno[1,2-b]pyridine
CID 89303476
3-(7,9,9-Trimethyl-7,8-dihydrofluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine
CID 89303478

Frequently Asked Questions

What is the IUPAC name of 6-[2-[7-[2-(2,3-dihydropyridin-2-yl)ethenyl]-9,9-diethyl-4b,8a-dihydrofluoren-2-yl]ethyl]-1-methyl-2H-pyridine?
The IUPAC name of 6-[2-[7-[2-(2,3-dihydropyridin-2-yl)ethenyl]-9,9-diethyl-4b,8a-dihydrofluoren-2-yl]ethyl]-1-methyl-2H-pyridine (CID 90887816) is 6-[2-[7-[2-(2,3-dihydropyridin-2-yl)ethenyl]-9,9-diethyl-4b,8a-dihydrofluoren-2-yl]ethyl]-1-methyl-2H-pyridine.
What is the SMILES notation for 6-[2-[7-[2-(2,3-dihydropyridin-2-yl)ethenyl]-9,9-diethyl-4b,8a-dihydrofluoren-2-yl]ethyl]-1-methyl-2H-pyridine?
The canonical SMILES for 6-[2-[7-[2-(2,3-dihydropyridin-2-yl)ethenyl]-9,9-diethyl-4b,8a-dihydrofluoren-2-yl]ethyl]-1-methyl-2H-pyridine is CCC1(CC)c2cc(CCC3=CC=CCN3C)ccc2C2C=CC(C=CC3CC=CC=N3)=CC21.
What is the InChIKey of 6-[2-[7-[2-(2,3-dihydropyridin-2-yl)ethenyl]-9,9-diethyl-4b,8a-dihydrofluoren-2-yl]ethyl]-1-methyl-2H-pyridine?
The InChIKey is WQBNTKKQQMNEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2/c1-4-32(5-2)30-22-24(12-16-26-10-6-8-20-33-26)14-18-28(30)29-19-15-25(23-31(29)32)13-17-27-11-7-9-21-34(27)3/h6-9,11-12,14-16,18-20,22-23,26,28,30H,4-5,10,13,17,21H2,1-3H3.
What are the key properties of 6-[2-[7-[2-(2,3-dihydropyridin-2-yl)ethenyl]-9,9-diethyl-4b,8a-dihydrofluoren-2-yl]ethyl]-1-methyl-2H-pyridine?
6-[2-[7-[2-(2,3-dihydropyridin-2-yl)ethenyl]-9,9-diethyl-4b,8a-dihydrofluoren-2-yl]ethyl]-1-methyl-2H-pyridine has a molecular weight of 450.67 g/mol, XLogP of 7.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[7-[2-(2,3-dihydropyridin-2-yl)ethenyl]-9,9-diethyl-4b,8a-dihydrofluoren-2-yl]ethyl]-1-methyl-2H-pyridine is sourced from PubChem (CID 90887816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).