(6aR)-6-methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

C23H21N — CID 10064053

IUPAC(6aR)-6-methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCN1CCc2cccc3c2[C@H]1Cc1cccc(-c2ccccc2)c1-3
InChIInChI=1S/C23H21N/c1-24-14-13-17-9-5-12-20-22-18(15-21(24)23(17)20)10-6-11-19(22)16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3/t21-/m1/s1
InChIKeyTVYKKVMHDGSECW-OAQYLSRUSA-N
MW311.43 g/mol
LogP5.11
Rot. Bonds1

About (6aR)-6-methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

(6aR)-6-methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (PubChem CID 10064053) has the molecular formula C23H21N and a molecular weight of 311.43 g/mol. Its IUPAC name is (6aR)-6-methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.

Molecular Properties

Compound Name(6aR)-6-methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
PubChem CID10064053
Molecular FormulaC23H21N
Molecular Weight311.43 g/mol
Exact Mass311.17
IUPAC Name(6aR)-6-methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCN1CCc2cccc3c2[C@H]1Cc1cccc(-c2ccccc2)c1-3
InChIInChI=1S/C23H21N/c1-24-14-13-17-9-5-12-20-22-18(15-21(24)23(17)20)10-6-11-19(22)16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3/t21-/m1/s1
InChIKeyTVYKKVMHDGSECW-OAQYLSRUSA-N
XLogP5.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10402615
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1'-benzylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]
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CID 617841

Frequently Asked Questions

What is the IUPAC name of (6aR)-6-methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The IUPAC name of (6aR)-6-methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (CID 10064053) is (6aR)-6-methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
What is the SMILES notation for (6aR)-6-methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The canonical SMILES for (6aR)-6-methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is CN1CCc2cccc3c2[C@H]1Cc1cccc(-c2ccccc2)c1-3.
What is the InChIKey of (6aR)-6-methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The InChIKey is TVYKKVMHDGSECW-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21N/c1-24-14-13-17-9-5-12-20-22-18(15-21(24)23(17)20)10-6-11-19(22)16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3/t21-/m1/s1.
What are the key properties of (6aR)-6-methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
(6aR)-6-methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline has a molecular weight of 311.43 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-6-methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is sourced from PubChem (CID 10064053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).