12-naphthalen-1-ylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-2-ol

C32H20O — CID 11166060

IUPAC12-naphthalen-1-ylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-2-ol
SMILESOC12c3cccc4cccc(c34)C1(c1cccc3ccccc13)c1cccc3cccc2c13
InChIInChI=1S/C32H20O/c33-32-27-18-6-12-21-10-4-16-25(29(21)27)31(32,24-15-3-9-20-8-1-2-14-23(20)24)26-17-5-11-22-13-7-19-28(32)30(22)26/h1-19,33H
InChIKeyCEFJITBXGBXRTA-UHFFFAOYSA-N
MW420.51 g/mol
LogP7.04
Rot. Bonds1

About 12-naphthalen-1-ylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-2-ol

12-naphthalen-1-ylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-2-ol (PubChem CID 11166060) has the molecular formula C32H20O and a molecular weight of 420.51 g/mol. Its IUPAC name is 12-naphthalen-1-ylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-2-ol.

Molecular Properties

Compound Name12-naphthalen-1-ylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-2-ol
PubChem CID11166060
Molecular FormulaC32H20O
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC Name12-naphthalen-1-ylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-2-ol
SMILESOC12c3cccc4cccc(c34)C1(c1cccc3ccccc13)c1cccc3cccc2c13
InChIInChI=1S/C32H20O/c33-32-27-18-6-12-21-10-4-16-25(29(21)27)31(32,24-15-3-9-20-8-1-2-14-23(20)24)26-17-5-11-22-13-7-19-28(32)30(22)26/h1-19,33H
InChIKeyCEFJITBXGBXRTA-UHFFFAOYSA-N
XLogP7.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 12-naphthalen-1-ylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-naphthalen-1-yloxetan-3-ol
CID 116873048
nonacyclo[12.12.9.127,31.01,14.02,7.08,13.015,20.021,26.035,36]hexatriaconta-2,4,6,8,10,12,15,17,19,21,23,25,27,29,31(36),32,34-heptadecaene
CID 101134797
2,2-bis[4-(dimethylamino)phenyl]-1-phenylacenaphthylen-1-ol
CID 5250946
2,2-dimethyl-1-naphthalen-1-ylcyclopentan-1-ol
CID 79863482
1,2-bis(4-methoxyphenyl)acenaphthylene-1,2-diol
CID 72802652
(2,2-dimethyl-1-naphthalen-1-ylcyclopropyl)methanol
CID 116842745
9,9-dinaphthalen-1-ylfluorene
CID 140680296
phenanthrene;pyrene;triphenylene
CID 162115949
3-bromo-3-naphthalen-1-yloxetane
CID 116876457
3-chloro-3-naphthalen-1-yloxetane
CID 116876568
2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene
CID 143109674
(3R,4S,5S,6R)-6-(hydroxymethyl)-3-naphthalen-1-yloxane-2,3,4,5-tetrol
CID 154944068

Frequently Asked Questions

What is the IUPAC name of 12-naphthalen-1-ylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-2-ol?
The IUPAC name of 12-naphthalen-1-ylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-2-ol (CID 11166060) is 12-naphthalen-1-ylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-2-ol.
What is the SMILES notation for 12-naphthalen-1-ylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-2-ol?
The canonical SMILES for 12-naphthalen-1-ylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-2-ol is OC12c3cccc4cccc(c34)C1(c1cccc3ccccc13)c1cccc3cccc2c13.
What is the InChIKey of 12-naphthalen-1-ylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-2-ol?
The InChIKey is CEFJITBXGBXRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20O/c33-32-27-18-6-12-21-10-4-16-25(29(21)27)31(32,24-15-3-9-20-8-1-2-14-23(20)24)26-17-5-11-22-13-7-19-28(32)30(22)26/h1-19,33H.
What are the key properties of 12-naphthalen-1-ylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-2-ol?
12-naphthalen-1-ylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-2-ol has a molecular weight of 420.51 g/mol, XLogP of 7.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-naphthalen-1-ylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-2-ol is sourced from PubChem (CID 11166060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).