7-(1,4a-dimethyl-2,3,4,8a-tetrahydroquinolin-3-yl)-3-[1-[7-[2-[7-(2,3,4,4a,5,6,7,8-octahydroquinolin-3-yl)-2,3,7,8-tetrahydroquinolin-3-yl]ethenyl]-9,9-diethyl-4a,9a-dihydrofluoren-2-yl]propan-2-yl]-4a,8a-dihydroquinoline

C60H72N4 — CID 91483345

IUPAC7-(1,4a-dimethyl-2,3,4,8a-tetrahydroquinolin-3-yl)-3-[1-[7-[2-[7-(2,3,4,4a,5,6,7,8-octahydroquinolin-3-yl)-2,3,7,8-tetrahydroquinolin-3-yl]ethenyl]-9,9-diethyl-4a,9a-dihydrofluoren-2-yl]propan-2-yl]-4a,8a-dihydroquinoline
SMILESCCC1(CC)c2cc(C=CC3C=C4C=CC(C5CN=C6CCCCC6C5)CC4=NC3)ccc2C2C=CC(CC(C)C3=CC4C=CC(C5CN(C)C6C=CC=CC6(C)C5)=CC4N=C3)=CC21
InChIInChI=1S/C60H72N4/c1-6-60(7-2)53-28-40(15-16-42-27-46-21-19-43(32-56(46)61-35-42)49-31-45-12-8-9-13-55(45)62-37-49)17-23-51(53)52-24-18-41(29-54(52)60)26-39(3)48-30-47-22-20-44(33-57(47)63-36-48)50-34-59(4)25-11-10-14-58(59)64(5)38-50/h10-11,14-25,27-30,33,36,39,42-43,45,47,49-50,52,54,57-58H,6-9,12-13,26,31-32,34-35,37-38H2,1-5H3
InChIKeyIEZMCUBZDQNKHE-UHFFFAOYSA-N
MW849.26 g/mol
LogP13.16
Rot. Bonds9

About 7-(1,4a-dimethyl-2,3,4,8a-tetrahydroquinolin-3-yl)-3-[1-[7-[2-[7-(2,3,4,4a,5,6,7,8-octahydroquinolin-3-yl)-2,3,7,8-tetrahydroquinolin-3-yl]ethenyl]-9,9-diethyl-4a,9a-dihydrofluoren-2-yl]propan-2-yl]-4a,8a-dihydroquinoline

7-(1,4a-dimethyl-2,3,4,8a-tetrahydroquinolin-3-yl)-3-[1-[7-[2-[7-(2,3,4,4a,5,6,7,8-octahydroquinolin-3-yl)-2,3,7,8-tetrahydroquinolin-3-yl]ethenyl]-9,9-diethyl-4a,9a-dihydrofluoren-2-yl]propan-2-yl]-4a,8a-dihydroquinoline (PubChem CID 91483345) has the molecular formula C60H72N4 and a molecular weight of 849.26 g/mol. Its IUPAC name is 7-(1,4a-dimethyl-2,3,4,8a-tetrahydroquinolin-3-yl)-3-[1-[7-[2-[7-(2,3,4,4a,5,6,7,8-octahydroquinolin-3-yl)-2,3,7,8-tetrahydroquinolin-3-yl]ethenyl]-9,9-diethyl-4a,9a-dihydrofluoren-2-yl]propan-2-yl]-4a,8a-dihydroquinoline.

Molecular Properties

Compound Name7-(1,4a-dimethyl-2,3,4,8a-tetrahydroquinolin-3-yl)-3-[1-[7-[2-[7-(2,3,4,4a,5,6,7,8-octahydroquinolin-3-yl)-2,3,7,8-tetrahydroquinolin-3-yl]ethenyl]-9,9-diethyl-4a,9a-dihydrofluoren-2-yl]propan-2-yl]-4a,8a-dihydroquinoline
PubChem CID91483345
Molecular FormulaC60H72N4
Molecular Weight849.26 g/mol
Exact Mass848.58
IUPAC Name7-(1,4a-dimethyl-2,3,4,8a-tetrahydroquinolin-3-yl)-3-[1-[7-[2-[7-(2,3,4,4a,5,6,7,8-octahydroquinolin-3-yl)-2,3,7,8-tetrahydroquinolin-3-yl]ethenyl]-9,9-diethyl-4a,9a-dihydrofluoren-2-yl]propan-2-yl]-4a,8a-dihydroquinoline
SMILESCCC1(CC)c2cc(C=CC3C=C4C=CC(C5CN=C6CCCCC6C5)CC4=NC3)ccc2C2C=CC(CC(C)C3=CC4C=CC(C5CN(C)C6C=CC=CC6(C)C5)=CC4N=C3)=CC21
InChIInChI=1S/C60H72N4/c1-6-60(7-2)53-28-40(15-16-42-27-46-21-19-43(32-56(46)61-35-42)49-31-45-12-8-9-13-55(45)62-37-49)17-23-51(53)52-24-18-41(29-54(52)60)26-39(3)48-30-47-22-20-44(33-57(47)63-36-48)50-34-59(4)25-11-10-14-58(59)64(5)38-50/h10-11,14-25,27-30,33,36,39,42-43,45,47,49-50,52,54,57-58H,6-9,12-13,26,31-32,34-35,37-38H2,1-5H3
InChIKeyIEZMCUBZDQNKHE-UHFFFAOYSA-N
XLogP13.16
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.26
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(1,4a-dimethyl-2,3,4,8a-tetrahydroquinolin-3-yl)-3-[1-[7-[2-[7-(2,3,4,4a,5,6,7,8-octahydroquinolin-3-yl)-2,3,7,8-tetrahydroquinolin-3-yl]ethenyl]-9,9-diethyl-4a,9a-dihydrofluoren-2-yl]propan-2-yl]-4a,8a-dihydroquinoline with MolForge

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Related Compounds

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
N-Ethyl-desoxy-veratramine
CID 580147
3-[7-[(E)-2-[7-[(E)-2-[7-(1,2,3,4,4a,5,6,8a-octahydroquinolin-3-yl)-5,6,9,10-tetrahydrophenanthren-2-yl]ethenyl]-9,9-diethyl-3,4,4b,5,6,8a-hexahydrofluoren-2-yl]ethenyl]-3,4,4a,4b,5,8,8a,9,10,10a-decahydrophenanthren-2-yl]-4,4a,5,6,7,8-hexahydroquinoline
CID 88995330
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-[4-(9,9-Dimethylfluoren-2-yl)phenyl]-8-phenyl-10a,12b-dihydropyreno[1,2-b]pyridine
CID 89296805
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
4-[(E)-2-(9,9-diethylfluoren-2-yl)ethenyl]-3,7,8,8a-tetrahydroquinoline
CID 90727974
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
1-[7-[2-[7-[2-[7-(3a,4,7,7a-tetrahydro-3H-indol-3-yl)-3,4,4b,7,8,8a-hexahydrophenanthren-2-yl]ethenyl]-9,9-diethyl-4b,5,6,8a-tetrahydrofluoren-2-yl]ethenyl]-1,2,3,4,4a,4b,5,8,8a,10a-decahydrophenanthren-2-yl]-5,6-dihydro-1H-isoindole
CID 90988611

Frequently Asked Questions

What is the IUPAC name of 7-(1,4a-dimethyl-2,3,4,8a-tetrahydroquinolin-3-yl)-3-[1-[7-[2-[7-(2,3,4,4a,5,6,7,8-octahydroquinolin-3-yl)-2,3,7,8-tetrahydroquinolin-3-yl]ethenyl]-9,9-diethyl-4a,9a-dihydrofluoren-2-yl]propan-2-yl]-4a,8a-dihydroquinoline?
The IUPAC name of 7-(1,4a-dimethyl-2,3,4,8a-tetrahydroquinolin-3-yl)-3-[1-[7-[2-[7-(2,3,4,4a,5,6,7,8-octahydroquinolin-3-yl)-2,3,7,8-tetrahydroquinolin-3-yl]ethenyl]-9,9-diethyl-4a,9a-dihydrofluoren-2-yl]propan-2-yl]-4a,8a-dihydroquinoline (CID 91483345) is 7-(1,4a-dimethyl-2,3,4,8a-tetrahydroquinolin-3-yl)-3-[1-[7-[2-[7-(2,3,4,4a,5,6,7,8-octahydroquinolin-3-yl)-2,3,7,8-tetrahydroquinolin-3-yl]ethenyl]-9,9-diethyl-4a,9a-dihydrofluoren-2-yl]propan-2-yl]-4a,8a-dihydroquinoline.
What is the SMILES notation for 7-(1,4a-dimethyl-2,3,4,8a-tetrahydroquinolin-3-yl)-3-[1-[7-[2-[7-(2,3,4,4a,5,6,7,8-octahydroquinolin-3-yl)-2,3,7,8-tetrahydroquinolin-3-yl]ethenyl]-9,9-diethyl-4a,9a-dihydrofluoren-2-yl]propan-2-yl]-4a,8a-dihydroquinoline?
The canonical SMILES for 7-(1,4a-dimethyl-2,3,4,8a-tetrahydroquinolin-3-yl)-3-[1-[7-[2-[7-(2,3,4,4a,5,6,7,8-octahydroquinolin-3-yl)-2,3,7,8-tetrahydroquinolin-3-yl]ethenyl]-9,9-diethyl-4a,9a-dihydrofluoren-2-yl]propan-2-yl]-4a,8a-dihydroquinoline is CCC1(CC)c2cc(C=CC3C=C4C=CC(C5CN=C6CCCCC6C5)CC4=NC3)ccc2C2C=CC(CC(C)C3=CC4C=CC(C5CN(C)C6C=CC=CC6(C)C5)=CC4N=C3)=CC21.
What is the InChIKey of 7-(1,4a-dimethyl-2,3,4,8a-tetrahydroquinolin-3-yl)-3-[1-[7-[2-[7-(2,3,4,4a,5,6,7,8-octahydroquinolin-3-yl)-2,3,7,8-tetrahydroquinolin-3-yl]ethenyl]-9,9-diethyl-4a,9a-dihydrofluoren-2-yl]propan-2-yl]-4a,8a-dihydroquinoline?
The InChIKey is IEZMCUBZDQNKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H72N4/c1-6-60(7-2)53-28-40(15-16-42-27-46-21-19-43(32-56(46)61-35-42)49-31-45-12-8-9-13-55(45)62-37-49)17-23-51(53)52-24-18-41(29-54(52)60)26-39(3)48-30-47-22-20-44(33-57(47)63-36-48)50-34-59(4)25-11-10-14-58(59)64(5)38-50/h10-11,14-25,27-30,33,36,39,42-43,45,47,49-50,52,54,57-58H,6-9,12-13,26,31-32,34-35,37-38H2,1-5H3.
What are the key properties of 7-(1,4a-dimethyl-2,3,4,8a-tetrahydroquinolin-3-yl)-3-[1-[7-[2-[7-(2,3,4,4a,5,6,7,8-octahydroquinolin-3-yl)-2,3,7,8-tetrahydroquinolin-3-yl]ethenyl]-9,9-diethyl-4a,9a-dihydrofluoren-2-yl]propan-2-yl]-4a,8a-dihydroquinoline?
7-(1,4a-dimethyl-2,3,4,8a-tetrahydroquinolin-3-yl)-3-[1-[7-[2-[7-(2,3,4,4a,5,6,7,8-octahydroquinolin-3-yl)-2,3,7,8-tetrahydroquinolin-3-yl]ethenyl]-9,9-diethyl-4a,9a-dihydrofluoren-2-yl]propan-2-yl]-4a,8a-dihydroquinoline has a molecular weight of 849.26 g/mol, XLogP of 13.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,4a-dimethyl-2,3,4,8a-tetrahydroquinolin-3-yl)-3-[1-[7-[2-[7-(2,3,4,4a,5,6,7,8-octahydroquinolin-3-yl)-2,3,7,8-tetrahydroquinolin-3-yl]ethenyl]-9,9-diethyl-4a,9a-dihydrofluoren-2-yl]propan-2-yl]-4a,8a-dihydroquinoline is sourced from PubChem (CID 91483345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).