1-(7-ethenyl-9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-3,4-dihydro-2H-quinoline

C26H27N — CID 89071476

IUPAC1-(7-ethenyl-9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-3,4-dihydro-2H-quinoline
SMILESC=CC1=CC=C2c3ccc(N4CCCc5ccccc54)cc3C(C)(C)C2C1
InChIInChI=1S/C26H27N/c1-4-18-11-13-21-22-14-12-20(17-24(22)26(2,3)23(21)16-18)27-15-7-9-19-8-5-6-10-25(19)27/h4-6,8,10-14,17,23H,1,7,9,15-16H2,2-3H3
InChIKeyKMSBXLYFGOWBDU-UHFFFAOYSA-N
MW353.51 g/mol
LogP6.58
Rot. Bonds2

About 1-(7-ethenyl-9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-3,4-dihydro-2H-quinoline

1-(7-ethenyl-9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-3,4-dihydro-2H-quinoline (PubChem CID 89071476) has the molecular formula C26H27N and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-(7-ethenyl-9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(7-ethenyl-9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-3,4-dihydro-2H-quinoline
PubChem CID89071476
Molecular FormulaC26H27N
Molecular Weight353.51 g/mol
Exact Mass353.21
IUPAC Name1-(7-ethenyl-9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-3,4-dihydro-2H-quinoline
SMILESC=CC1=CC=C2c3ccc(N4CCCc5ccccc54)cc3C(C)(C)C2C1
InChIInChI=1S/C26H27N/c1-4-18-11-13-21-22-14-12-20(17-24(22)26(2,3)23(21)16-18)27-15-7-9-19-8-5-6-10-25(19)27/h4-6,8,10-14,17,23H,1,7,9,15-16H2,2-3H3
InChIKeyKMSBXLYFGOWBDU-UHFFFAOYSA-N
XLogP6.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-ethenyl-9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(7-ethenyl-9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-3,4-dihydro-2H-quinoline (CID 89071476) is 1-(7-ethenyl-9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(7-ethenyl-9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(7-ethenyl-9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-3,4-dihydro-2H-quinoline is C=CC1=CC=C2c3ccc(N4CCCc5ccccc54)cc3C(C)(C)C2C1.
What is the InChIKey of 1-(7-ethenyl-9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is KMSBXLYFGOWBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N/c1-4-18-11-13-21-22-14-12-20(17-24(22)26(2,3)23(21)16-18)27-15-7-9-19-8-5-6-10-25(19)27/h4-6,8,10-14,17,23H,1,7,9,15-16H2,2-3H3.
What are the key properties of 1-(7-ethenyl-9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-3,4-dihydro-2H-quinoline?
1-(7-ethenyl-9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 353.51 g/mol, XLogP of 6.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethenyl-9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 89071476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).