23-hydroxy-3-phenyl-10-azahexacyclo[16.3.3.01,18.02,11.04,9.012,17]tetracosa-2,4,6,8,10,12,14,16-octaen-20-one

C29H23NO2 — CID 138659054

IUPAC23-hydroxy-3-phenyl-10-azahexacyclo[16.3.3.01,18.02,11.04,9.012,17]tetracosa-2,4,6,8,10,12,14,16-octaen-20-one
SMILESO=C1CC23CC(O)CC2(C1)c1c(nc2ccccc2c1-c1ccccc1)-c1ccccc13
InChIInChI=1S/C29H23NO2/c31-19-14-28-15-20(32)17-29(28,16-19)26-25(18-8-2-1-3-9-18)22-11-5-7-13-24(22)30-27(26)21-10-4-6-12-23(21)28/h1-13,19,31H,14-17H2
InChIKeyCPQGIXCBSQWUSW-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.58
Rot. Bonds1

About 23-hydroxy-3-phenyl-10-azahexacyclo[16.3.3.01,18.02,11.04,9.012,17]tetracosa-2,4,6,8,10,12,14,16-octaen-20-one

23-hydroxy-3-phenyl-10-azahexacyclo[16.3.3.01,18.02,11.04,9.012,17]tetracosa-2,4,6,8,10,12,14,16-octaen-20-one (PubChem CID 138659054) has the molecular formula C29H23NO2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 23-hydroxy-3-phenyl-10-azahexacyclo[16.3.3.01,18.02,11.04,9.012,17]tetracosa-2,4,6,8,10,12,14,16-octaen-20-one.

Molecular Properties

Compound Name23-hydroxy-3-phenyl-10-azahexacyclo[16.3.3.01,18.02,11.04,9.012,17]tetracosa-2,4,6,8,10,12,14,16-octaen-20-one
PubChem CID138659054
Molecular FormulaC29H23NO2
Molecular Weight417.51 g/mol
Exact Mass417.17
IUPAC Name23-hydroxy-3-phenyl-10-azahexacyclo[16.3.3.01,18.02,11.04,9.012,17]tetracosa-2,4,6,8,10,12,14,16-octaen-20-one
SMILESO=C1CC23CC(O)CC2(C1)c1c(nc2ccccc2c1-c1ccccc1)-c1ccccc13
InChIInChI=1S/C29H23NO2/c31-19-14-28-15-20(32)17-29(28,16-19)26-25(18-8-2-1-3-9-18)22-11-5-7-13-24(22)30-27(26)21-10-4-6-12-23(21)28/h1-13,19,31H,14-17H2
InChIKeyCPQGIXCBSQWUSW-UHFFFAOYSA-N
XLogP5.58
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 23-hydroxy-3-phenyl-10-azahexacyclo[16.3.3.01,18.02,11.04,9.012,17]tetracosa-2,4,6,8,10,12,14,16-octaen-20-one with MolForge

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Related Compounds

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline
CID 139567232
3-[4-[4-(11,11-dimethylindeno[1,2-b]quinolin-10-yl)phenyl]phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 139567233
11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline
CID 139567371
10-azahexacyclo[16.3.3.01,18.02,11.04,9.012,17]tetracosa-2,4,6,8,10,12,14,16-octaene-20,23-dione;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 158209044
11,11-dimethyl-10-(4-pyridin-2-ylphenyl)indeno[1,2-b]quinoline
CID 139567195
(3R)-1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline
CID 7180244
11,11-dimethyl-10-[4-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline
CID 139567240
11,11-dimethyl-10-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]indeno[1,2-b]quinoline
CID 139567389
10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline
CID 139567372
(11R)-6,11-diphenylindeno[1,2-c]quinolin-11-ol
CID 139182041
11,11-dimethyl-10-[3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]indeno[1,2-b]quinoline
CID 139567439
11,11-dimethyl-10-[4-[10-(2-phenylpyrimidin-4-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-[10-(5-phenylpyrimidin-2-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline
CID 162138563

Frequently Asked Questions

What is the IUPAC name of 23-hydroxy-3-phenyl-10-azahexacyclo[16.3.3.01,18.02,11.04,9.012,17]tetracosa-2,4,6,8,10,12,14,16-octaen-20-one?
The IUPAC name of 23-hydroxy-3-phenyl-10-azahexacyclo[16.3.3.01,18.02,11.04,9.012,17]tetracosa-2,4,6,8,10,12,14,16-octaen-20-one (CID 138659054) is 23-hydroxy-3-phenyl-10-azahexacyclo[16.3.3.01,18.02,11.04,9.012,17]tetracosa-2,4,6,8,10,12,14,16-octaen-20-one.
What is the SMILES notation for 23-hydroxy-3-phenyl-10-azahexacyclo[16.3.3.01,18.02,11.04,9.012,17]tetracosa-2,4,6,8,10,12,14,16-octaen-20-one?
The canonical SMILES for 23-hydroxy-3-phenyl-10-azahexacyclo[16.3.3.01,18.02,11.04,9.012,17]tetracosa-2,4,6,8,10,12,14,16-octaen-20-one is O=C1CC23CC(O)CC2(C1)c1c(nc2ccccc2c1-c1ccccc1)-c1ccccc13.
What is the InChIKey of 23-hydroxy-3-phenyl-10-azahexacyclo[16.3.3.01,18.02,11.04,9.012,17]tetracosa-2,4,6,8,10,12,14,16-octaen-20-one?
The InChIKey is CPQGIXCBSQWUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO2/c31-19-14-28-15-20(32)17-29(28,16-19)26-25(18-8-2-1-3-9-18)22-11-5-7-13-24(22)30-27(26)21-10-4-6-12-23(21)28/h1-13,19,31H,14-17H2.
What are the key properties of 23-hydroxy-3-phenyl-10-azahexacyclo[16.3.3.01,18.02,11.04,9.012,17]tetracosa-2,4,6,8,10,12,14,16-octaen-20-one?
23-hydroxy-3-phenyl-10-azahexacyclo[16.3.3.01,18.02,11.04,9.012,17]tetracosa-2,4,6,8,10,12,14,16-octaen-20-one has a molecular weight of 417.51 g/mol, XLogP of 5.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 23-hydroxy-3-phenyl-10-azahexacyclo[16.3.3.01,18.02,11.04,9.012,17]tetracosa-2,4,6,8,10,12,14,16-octaen-20-one is sourced from PubChem (CID 138659054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).