4-[(E)-2-(9,9-diethylfluoren-2-yl)ethenyl]-3,7,8,8a-tetrahydroquinoline

C28H29N — CID 90727974

IUPAC4-[(E)-2-(9,9-diethylfluoren-2-yl)ethenyl]-3,7,8,8a-tetrahydroquinoline
SMILESCCC1(CC)c2ccccc2-c2ccc(/C=C/C3=C4C=CCCC4N=CC3)cc21
InChIInChI=1S/C28H29N/c1-3-28(4-2)25-11-7-5-10-23(25)24-16-14-20(19-26(24)28)13-15-21-17-18-29-27-12-8-6-9-22(21)27/h5-7,9-11,13-16,18-19,27H,3-4,8,12,17H2,1-2H3/b15-13+
InChIKeyQFJRYYIDXBQNSZ-FYWRMAATSA-N
MW379.55 g/mol
LogP7.28
Rot. Bonds4

About 4-[(E)-2-(9,9-diethylfluoren-2-yl)ethenyl]-3,7,8,8a-tetrahydroquinoline

4-[(E)-2-(9,9-diethylfluoren-2-yl)ethenyl]-3,7,8,8a-tetrahydroquinoline (PubChem CID 90727974) has the molecular formula C28H29N and a molecular weight of 379.55 g/mol. Its IUPAC name is 4-[(E)-2-(9,9-diethylfluoren-2-yl)ethenyl]-3,7,8,8a-tetrahydroquinoline.

Molecular Properties

Compound Name4-[(E)-2-(9,9-diethylfluoren-2-yl)ethenyl]-3,7,8,8a-tetrahydroquinoline
PubChem CID90727974
Molecular FormulaC28H29N
Molecular Weight379.55 g/mol
Exact Mass379.23
IUPAC Name4-[(E)-2-(9,9-diethylfluoren-2-yl)ethenyl]-3,7,8,8a-tetrahydroquinoline
SMILESCCC1(CC)c2ccccc2-c2ccc(/C=C/C3=C4C=CCCC4N=CC3)cc21
InChIInChI=1S/C28H29N/c1-3-28(4-2)25-11-7-5-10-23(25)24-16-14-20(19-26(24)28)13-15-21-17-18-29-27-12-8-6-9-22(21)27/h5-7,9-11,13-16,18-19,27H,3-4,8,12,17H2,1-2H3/b15-13+
InChIKeyQFJRYYIDXBQNSZ-FYWRMAATSA-N
XLogP7.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[(E)-2-(9,9-diethylfluoren-2-yl)ethenyl]-3,7,8,8a-tetrahydroquinoline with MolForge

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Related Compounds

N-(9H-fluoren-9-yl)-2,2-dimethylpropan-1-imine
CID 11299670
N-(9H-fluoren-9-yl)heptan-1-imine
CID 15543721
1-[(1R,4aR,9aR)-1-prop-2-enyl-2,3,4,4a,9,9a-hexahydrofluoren-1-yl]-N-(1-phenylpentyl)methanimine
CID 101845425
N-(9H-fluoren-9-yl)butan-1-imine
CID 14340286
5-Methyl-8-(7,9,9-trimethylfluoren-2-yl)-4a,8a-dihydroquinoxaline
CID 20593667
1-N,2-N,3-trimethyl-6-(7-methyl-9,9-dioctylfluoren-2-yl)cyclohexa-3,5-diene-1,2-diimine
CID 20779707
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
4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)-2H-pyrrole
CID 67655871

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(9,9-diethylfluoren-2-yl)ethenyl]-3,7,8,8a-tetrahydroquinoline?
The IUPAC name of 4-[(E)-2-(9,9-diethylfluoren-2-yl)ethenyl]-3,7,8,8a-tetrahydroquinoline (CID 90727974) is 4-[(E)-2-(9,9-diethylfluoren-2-yl)ethenyl]-3,7,8,8a-tetrahydroquinoline.
What is the SMILES notation for 4-[(E)-2-(9,9-diethylfluoren-2-yl)ethenyl]-3,7,8,8a-tetrahydroquinoline?
The canonical SMILES for 4-[(E)-2-(9,9-diethylfluoren-2-yl)ethenyl]-3,7,8,8a-tetrahydroquinoline is CCC1(CC)c2ccccc2-c2ccc(/C=C/C3=C4C=CCCC4N=CC3)cc21.
What is the InChIKey of 4-[(E)-2-(9,9-diethylfluoren-2-yl)ethenyl]-3,7,8,8a-tetrahydroquinoline?
The InChIKey is QFJRYYIDXBQNSZ-FYWRMAATSA-N. The full InChI is InChI=1S/C28H29N/c1-3-28(4-2)25-11-7-5-10-23(25)24-16-14-20(19-26(24)28)13-15-21-17-18-29-27-12-8-6-9-22(21)27/h5-7,9-11,13-16,18-19,27H,3-4,8,12,17H2,1-2H3/b15-13+.
What are the key properties of 4-[(E)-2-(9,9-diethylfluoren-2-yl)ethenyl]-3,7,8,8a-tetrahydroquinoline?
4-[(E)-2-(9,9-diethylfluoren-2-yl)ethenyl]-3,7,8,8a-tetrahydroquinoline has a molecular weight of 379.55 g/mol, XLogP of 7.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(9,9-diethylfluoren-2-yl)ethenyl]-3,7,8,8a-tetrahydroquinoline is sourced from PubChem (CID 90727974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).