12-phenylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one

C24H22N4O — CID 1070552

IUPAC12-phenylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one
SMILESO=c1c2c(n3cnnc3n1-c1ccccc1)-c1ccccc1CC21CCCCC1
InChIInChI=1S/C24H22N4O/c29-22-20-21(27-16-25-26-23(27)28(22)18-10-3-1-4-11-18)19-12-6-5-9-17(19)15-24(20)13-7-2-8-14-24/h1,3-6,9-12,16H,2,7-8,13-15H2
InChIKeyRXFKPVDDPUCZAE-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.31
Rot. Bonds1

About 12-phenylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one

12-phenylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one (PubChem CID 1070552) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 12-phenylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one.

Molecular Properties

Compound Name12-phenylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one
PubChem CID1070552
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name12-phenylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one
SMILESO=c1c2c(n3cnnc3n1-c1ccccc1)-c1ccccc1CC21CCCCC1
InChIInChI=1S/C24H22N4O/c29-22-20-21(27-16-25-26-23(27)28(22)18-10-3-1-4-11-18)19-12-6-5-9-17(19)15-24(20)13-7-2-8-14-24/h1,3-6,9-12,16H,2,7-8,13-15H2
InChIKeyRXFKPVDDPUCZAE-UHFFFAOYSA-N
XLogP4.31
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-phenylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one with MolForge

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Related Compounds

12-benzyl-4-methylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,13,15-hexaene-9,1'-cyclohexane]-11-one
CID 53301980
2-phenylspiro[1,5-dihydrobenzo[g]indazole-4,1'-cyclohexane]-3-one
CID 910003
12-(2-methylphenyl)-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one
CID 3552128
12-benzylspiro[12,14,15,16,17-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclopentane]-11-one
CID 650929
(2R)-2-(4-oxo-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-phenylpropanamide
CID 2721881
2-(4-oxo-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-phenylpropanamide
CID 5062000
N-(2-chlorophenyl)-2-[12-(3-methoxyphenyl)-11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-16-yl]sulfanylacetamide
CID 5004850
2-hydrazinyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
CID 1359211
3-(4-chlorophenyl)-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
CID 23771205
1-benzyl-3-(furan-2-ylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2,4-dione
CID 139074486
4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole
CID 2773117
(14R)-14-phenylspiro[15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-11-one
CID 1346293

Frequently Asked Questions

What is the IUPAC name of 12-phenylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one?
The IUPAC name of 12-phenylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one (CID 1070552) is 12-phenylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one.
What is the SMILES notation for 12-phenylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one?
The canonical SMILES for 12-phenylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one is O=c1c2c(n3cnnc3n1-c1ccccc1)-c1ccccc1CC21CCCCC1.
What is the InChIKey of 12-phenylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one?
The InChIKey is RXFKPVDDPUCZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-22-20-21(27-16-25-26-23(27)28(22)18-10-3-1-4-11-18)19-12-6-5-9-17(19)15-24(20)13-7-2-8-14-24/h1,3-6,9-12,16H,2,7-8,13-15H2.
What are the key properties of 12-phenylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one?
12-phenylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one has a molecular weight of 382.47 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one is sourced from PubChem (CID 1070552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).