(6R,6aS,11bS)-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline

C22H19N — CID 15857503

IUPAC(6R,6aS,11bS)-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline
SMILESc1ccc([C@@H]2Nc3ccccc3[C@@H]3c4ccccc4C[C@@H]32)cc1
InChIInChI=1S/C22H19N/c1-2-8-15(9-3-1)22-19-14-16-10-4-5-11-17(16)21(19)18-12-6-7-13-20(18)23-22/h1-13,19,21-23H,14H2/t19-,21-,22-/m0/s1
InChIKeyZPENVBWFPGNPIE-BVSLBCMMSA-N
MW297.40 g/mol
LogP5.16
Rot. Bonds1

About (6R,6aS,11bS)-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline

(6R,6aS,11bS)-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline (PubChem CID 15857503) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is (6R,6aS,11bS)-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline.

Molecular Properties

Compound Name(6R,6aS,11bS)-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline
PubChem CID15857503
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name(6R,6aS,11bS)-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline
SMILESc1ccc([C@@H]2Nc3ccccc3[C@@H]3c4ccccc4C[C@@H]32)cc1
InChIInChI=1S/C22H19N/c1-2-8-15(9-3-1)22-19-14-16-10-4-5-11-17(16)21(19)18-12-6-7-13-20(18)23-22/h1-13,19,21-23H,14H2/t19-,21-,22-/m0/s1
InChIKeyZPENVBWFPGNPIE-BVSLBCMMSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (6R,6aS,11bS)-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline with MolForge

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Related Compounds

1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-(4-aminophenyl)-, (+)-
CID 55849
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-(4-aminophenyl)-, (-)-
CID 3033732
4-(2-fluorophenyl)-3a,4,5,11c-tetrahydro-3H-benzo[f]cyclopenta[c]quinoline
CID 3946411
9-Phenylacridan
CID 321720
6-fluoro-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 3136818
4-Phenyl-1,2,3,4-tetrahydroquinoline
CID 12209396
(5aS,6aR,9R,10aR)-7,9-dimethyl-5,5a,6,6a,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline
CID 14107814
4-[(4aS,5S,9bS)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl]aniline
CID 21787476
(-)-(5R,10S)-12-phenyl-10,11-dihydro-5H-5,10epiminodibenzo[a,d][7]annulene
CID 53383667
(3aS,4R,9bR)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 7111440
5,6-Dihydrophenanthridine
CID 219966
5-(4-aminophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno(1,2-b)pyridine
CID 129490

Frequently Asked Questions

What is the IUPAC name of (6R,6aS,11bS)-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline?
The IUPAC name of (6R,6aS,11bS)-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline (CID 15857503) is (6R,6aS,11bS)-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline.
What is the SMILES notation for (6R,6aS,11bS)-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline?
The canonical SMILES for (6R,6aS,11bS)-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline is c1ccc([C@@H]2Nc3ccccc3[C@@H]3c4ccccc4C[C@@H]32)cc1.
What is the InChIKey of (6R,6aS,11bS)-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline?
The InChIKey is ZPENVBWFPGNPIE-BVSLBCMMSA-N. The full InChI is InChI=1S/C22H19N/c1-2-8-15(9-3-1)22-19-14-16-10-4-5-11-17(16)21(19)18-12-6-7-13-20(18)23-22/h1-13,19,21-23H,14H2/t19-,21-,22-/m0/s1.
What are the key properties of (6R,6aS,11bS)-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline?
(6R,6aS,11bS)-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline has a molecular weight of 297.40 g/mol, XLogP of 5.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,6aS,11bS)-6-phenyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline is sourced from PubChem (CID 15857503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).