2-[2-(11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)phenyl]propan-2-ol

C24H20N2O — CID 134361332

IUPAC2-[2-(11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-c1cc2[nH]c3ccncc3c2c2ccccc12
InChIInChI=1S/C24H20N2O/c1-24(2,27)20-10-6-5-8-16(20)18-13-22-23(17-9-4-3-7-15(17)18)19-14-25-12-11-21(19)26-22/h3-14,26-27H,1-2H3
InChIKeyXTBWPRBLFNGEHD-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.76
Rot. Bonds2

About 2-[2-(11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)phenyl]propan-2-ol

2-[2-(11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)phenyl]propan-2-ol (PubChem CID 134361332) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[2-(11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)phenyl]propan-2-ol
PubChem CID134361332
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name2-[2-(11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-c1cc2[nH]c3ccncc3c2c2ccccc12
InChIInChI=1S/C24H20N2O/c1-24(2,27)20-10-6-5-8-16(20)18-13-22-23(17-9-4-3-7-15(17)18)19-14-25-12-11-21(19)26-22/h3-14,26-27H,1-2H3
InChIKeyXTBWPRBLFNGEHD-UHFFFAOYSA-N
XLogP5.76
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)phenyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)phenyl]propan-2-ol?
The IUPAC name of 2-[2-(11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)phenyl]propan-2-ol (CID 134361332) is 2-[2-(11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-(11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-[2-(11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)phenyl]propan-2-ol is CC(C)(O)c1ccccc1-c1cc2[nH]c3ccncc3c2c2ccccc12.
What is the InChIKey of 2-[2-(11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)phenyl]propan-2-ol?
The InChIKey is XTBWPRBLFNGEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-24(2,27)20-10-6-5-8-16(20)18-13-22-23(17-9-4-3-7-15(17)18)19-14-25-12-11-21(19)26-22/h3-14,26-27H,1-2H3.
What are the key properties of 2-[2-(11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)phenyl]propan-2-ol?
2-[2-(11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)phenyl]propan-2-ol has a molecular weight of 352.44 g/mol, XLogP of 5.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)phenyl]propan-2-ol is sourced from PubChem (CID 134361332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).