2-[2-(9-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),3,6,10,12,14,16-octaen-11-yl)phenyl]propan-2-ol

C26H23NO — CID 145199002

IUPAC2-[2-(9-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),3,6,10,12,14,16-octaen-11-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-c1c2ccccc2cc2c3c([nH]c12)C=CCC=C3
InChIInChI=1S/C26H23NO/c1-26(2,28)22-14-9-8-13-20(22)24-18-11-7-6-10-17(18)16-21-19-12-4-3-5-15-23(19)27-25(21)24/h4-16,27-28H,3H2,1-2H3
InChIKeyLIBUKVPNPKWXJN-UHFFFAOYSA-N
MW365.48 g/mol
LogP6.65
Rot. Bonds2

About 2-[2-(9-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),3,6,10,12,14,16-octaen-11-yl)phenyl]propan-2-ol

2-[2-(9-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),3,6,10,12,14,16-octaen-11-yl)phenyl]propan-2-ol (PubChem CID 145199002) has the molecular formula C26H23NO and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[2-(9-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),3,6,10,12,14,16-octaen-11-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(9-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),3,6,10,12,14,16-octaen-11-yl)phenyl]propan-2-ol
PubChem CID145199002
Molecular FormulaC26H23NO
Molecular Weight365.48 g/mol
Exact Mass365.18
IUPAC Name2-[2-(9-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),3,6,10,12,14,16-octaen-11-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-c1c2ccccc2cc2c3c([nH]c12)C=CCC=C3
InChIInChI=1S/C26H23NO/c1-26(2,28)22-14-9-8-13-20(22)24-18-11-7-6-10-17(18)16-21-19-12-4-3-5-15-23(19)27-25(21)24/h4-16,27-28H,3H2,1-2H3
InChIKeyLIBUKVPNPKWXJN-UHFFFAOYSA-N
XLogP6.65
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-[2-(9-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),3,6,10,12,14,16-octaen-11-yl)phenyl]propan-2-ol with MolForge

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Related Compounds

9-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),3,6,10,12,14,16-octaene;ethane
CID 142461107
6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10,13-hexaene;ethane
CID 167507275
6-[10-(9H-cyclohepta[a]naphthalen-6-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 139515356
2-[5-fluoranthen-3-yl-4-(2-hydroxypropan-2-yl)-2-naphthalen-1-ylphenyl]propan-2-ol
CID 58261454
hexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene
CID 21480
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
2-[2-(1H-benzo[de]quinolin-4-yl)phenyl]propan-2-ol
CID 130444702
2-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]propan-2-ol
CID 15881028
2-(4-benzo[a]anthracen-7-ylnaphthalen-1-yl)-4-phenyl-6-(1-phenyl-7H-benzo[7]annulen-4-yl)pyrimidine
CID 176632667
1-anthracen-1-yl-1-phenylethanol
CID 2793943
2-(5-naphthalen-1-yl-1H-imidazol-2-yl)propan-2-ol
CID 116881443
5-ethenyl-8H-cyclohepta[b]naphthalene
CID 144799391

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),3,6,10,12,14,16-octaen-11-yl)phenyl]propan-2-ol?
The IUPAC name of 2-[2-(9-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),3,6,10,12,14,16-octaen-11-yl)phenyl]propan-2-ol (CID 145199002) is 2-[2-(9-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),3,6,10,12,14,16-octaen-11-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-(9-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),3,6,10,12,14,16-octaen-11-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-[2-(9-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),3,6,10,12,14,16-octaen-11-yl)phenyl]propan-2-ol is CC(C)(O)c1ccccc1-c1c2ccccc2cc2c3c([nH]c12)C=CCC=C3.
What is the InChIKey of 2-[2-(9-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),3,6,10,12,14,16-octaen-11-yl)phenyl]propan-2-ol?
The InChIKey is LIBUKVPNPKWXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO/c1-26(2,28)22-14-9-8-13-20(22)24-18-11-7-6-10-17(18)16-21-19-12-4-3-5-15-23(19)27-25(21)24/h4-16,27-28H,3H2,1-2H3.
What are the key properties of 2-[2-(9-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),3,6,10,12,14,16-octaen-11-yl)phenyl]propan-2-ol?
2-[2-(9-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),3,6,10,12,14,16-octaen-11-yl)phenyl]propan-2-ol has a molecular weight of 365.48 g/mol, XLogP of 6.65, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),3,6,10,12,14,16-octaen-11-yl)phenyl]propan-2-ol is sourced from PubChem (CID 145199002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).