(4aS,6R)-4a,6-diphenyl-1,2,3,4,5,6-hexahydrobenzo[c]quinolizine

C25H25N — CID 164666151

IUPAC(4aS,6R)-4a,6-diphenyl-1,2,3,4,5,6-hexahydrobenzo[c]quinolizine
SMILESc1ccc([C@H]2C[C@]3(c4ccccc4)CCCCN3c3ccccc32)cc1
InChIInChI=1S/C25H25N/c1-3-11-20(12-4-1)23-19-25(21-13-5-2-6-14-21)17-9-10-18-26(25)24-16-8-7-15-22(23)24/h1-8,11-16,23H,9-10,17-19H2/t23-,25+/m1/s1
InChIKeyXDNZDMILZPGOPO-NOZRDPDXSA-N
MW339.48 g/mol
LogP6.11
Rot. Bonds2

About (4aS,6R)-4a,6-diphenyl-1,2,3,4,5,6-hexahydrobenzo[c]quinolizine

(4aS,6R)-4a,6-diphenyl-1,2,3,4,5,6-hexahydrobenzo[c]quinolizine (PubChem CID 164666151) has the molecular formula C25H25N and a molecular weight of 339.48 g/mol. Its IUPAC name is (4aS,6R)-4a,6-diphenyl-1,2,3,4,5,6-hexahydrobenzo[c]quinolizine.

Molecular Properties

Compound Name(4aS,6R)-4a,6-diphenyl-1,2,3,4,5,6-hexahydrobenzo[c]quinolizine
PubChem CID164666151
Molecular FormulaC25H25N
Molecular Weight339.48 g/mol
Exact Mass339.20
IUPAC Name(4aS,6R)-4a,6-diphenyl-1,2,3,4,5,6-hexahydrobenzo[c]quinolizine
SMILESc1ccc([C@H]2C[C@]3(c4ccccc4)CCCCN3c3ccccc32)cc1
InChIInChI=1S/C25H25N/c1-3-11-20(12-4-1)23-19-25(21-13-5-2-6-14-21)17-9-10-18-26(25)24-16-8-7-15-22(23)24/h1-8,11-16,23H,9-10,17-19H2/t23-,25+/m1/s1
InChIKeyXDNZDMILZPGOPO-NOZRDPDXSA-N
XLogP6.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 101053650
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CID 3030621
(4aS,6R)-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
CID 164666156
1,3-diphenyl-3-(trifluoromethyl)-1,2-dihydroindene
CID 122232215
(4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline
CID 38988807
3-phenyl-3-piperidin-1-ylcyclohexan-1-ol
CID 524773
(2S,3R,4S)-4-phenyl-7-azatetracyclo[6.4.0.02,4.03,7]dodeca-1(12),8,10-triene
CID 146165743
2-methyl-1-(1-phenylcyclohexyl)azetidine
CID 156552462
3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride
CID 138398579
1-[1-(4-phenylphenyl)cyclohexyl]piperidine
CID 12704483
1-(1,2-diphenylcyclopropyl)piperidine
CID 86177466
2-(5-hydroxy-2-adamantyl)-7a-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one
CID 44599544

Frequently Asked Questions

What is the IUPAC name of (4aS,6R)-4a,6-diphenyl-1,2,3,4,5,6-hexahydrobenzo[c]quinolizine?
The IUPAC name of (4aS,6R)-4a,6-diphenyl-1,2,3,4,5,6-hexahydrobenzo[c]quinolizine (CID 164666151) is (4aS,6R)-4a,6-diphenyl-1,2,3,4,5,6-hexahydrobenzo[c]quinolizine.
What is the SMILES notation for (4aS,6R)-4a,6-diphenyl-1,2,3,4,5,6-hexahydrobenzo[c]quinolizine?
The canonical SMILES for (4aS,6R)-4a,6-diphenyl-1,2,3,4,5,6-hexahydrobenzo[c]quinolizine is c1ccc([C@H]2C[C@]3(c4ccccc4)CCCCN3c3ccccc32)cc1.
What is the InChIKey of (4aS,6R)-4a,6-diphenyl-1,2,3,4,5,6-hexahydrobenzo[c]quinolizine?
The InChIKey is XDNZDMILZPGOPO-NOZRDPDXSA-N. The full InChI is InChI=1S/C25H25N/c1-3-11-20(12-4-1)23-19-25(21-13-5-2-6-14-21)17-9-10-18-26(25)24-16-8-7-15-22(23)24/h1-8,11-16,23H,9-10,17-19H2/t23-,25+/m1/s1.
What are the key properties of (4aS,6R)-4a,6-diphenyl-1,2,3,4,5,6-hexahydrobenzo[c]quinolizine?
(4aS,6R)-4a,6-diphenyl-1,2,3,4,5,6-hexahydrobenzo[c]quinolizine has a molecular weight of 339.48 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,6R)-4a,6-diphenyl-1,2,3,4,5,6-hexahydrobenzo[c]quinolizine is sourced from PubChem (CID 164666151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).