adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene)

C55H64O9 — CID 175349946

IUPACadamantane;tris(1,2,3-trimethoxy-4-phenylbenzene)
SMILESC1C2CC3CC1CC(C2)C3.COc1ccc(-c2ccccc2)c(OC)c1OC.COc1ccc(-c2ccccc2)c(OC)c1OC.COc1ccc(-c2ccccc2)c(OC)c1OC
InChIInChI=1S/3C15H16O3.C10H16/c3*1-16-13-10-9-12(11-7-5-4-6-8-11)14(17-2)15(13)18-3;1-7-2-9-4-8(1)5-10(3-7)6-9/h3*4-10H,1-3H3;7-10H,1-6H2
InChIKeyZEJUEDDWVUVLQF-UHFFFAOYSA-N
MW869.11 g/mol
LogP12.97
Rot. Bonds12

About adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene)

adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene) (PubChem CID 175349946) has the molecular formula C55H64O9 and a molecular weight of 869.11 g/mol. Its IUPAC name is adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene).

Molecular Properties

Compound Nameadamantane;tris(1,2,3-trimethoxy-4-phenylbenzene)
PubChem CID175349946
Molecular FormulaC55H64O9
Molecular Weight869.11 g/mol
Exact Mass868.46
IUPAC Nameadamantane;tris(1,2,3-trimethoxy-4-phenylbenzene)
SMILESC1C2CC3CC1CC(C2)C3.COc1ccc(-c2ccccc2)c(OC)c1OC.COc1ccc(-c2ccccc2)c(OC)c1OC.COc1ccc(-c2ccccc2)c(OC)c1OC
InChIInChI=1S/3C15H16O3.C10H16/c3*1-16-13-10-9-12(11-7-5-4-6-8-11)14(17-2)15(13)18-3;1-7-2-9-4-8(1)5-10(3-7)6-9/h3*4-10H,1-3H3;7-10H,1-6H2
InChIKeyZEJUEDDWVUVLQF-UHFFFAOYSA-N
XLogP12.97
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.11
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene) 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

4-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 15011206
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
2,6-dimethoxy-3-phenylbenzoyl chloride
CID 141166869
1-(4-chlorophenyl)-2,3,4-trimethoxybenzene
CID 57161799
2,6-dimethoxy-3-phenylbenzoic acid
CID 68897922
methyl 2,6-dimethoxy-3-phenylbenzoate
CID 142664398
5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile
CID 11077097
2-methoxy-1,3-diphenylbenzene
CID 23524590
2,6-dimethoxy-3-phenylbenzamide
CID 68897697
2,3-dimethoxy-4-phenylbenzoyl chloride
CID 18351428
5,6-dimethoxy-1,3-diphenylnaphthalen-2-ol
CID 10915274
(1R,12R)-3,10-dimethoxy-5,8-diphenyltetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,13-hexaene
CID 98164270

Frequently Asked Questions

What is the IUPAC name of adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene)?
The IUPAC name of adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene) (CID 175349946) is adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene).
What is the SMILES notation for adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene)?
The canonical SMILES for adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene) is C1C2CC3CC1CC(C2)C3.COc1ccc(-c2ccccc2)c(OC)c1OC.COc1ccc(-c2ccccc2)c(OC)c1OC.COc1ccc(-c2ccccc2)c(OC)c1OC.
What is the InChIKey of adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene)?
The InChIKey is ZEJUEDDWVUVLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H16O3.C10H16/c3*1-16-13-10-9-12(11-7-5-4-6-8-11)14(17-2)15(13)18-3;1-7-2-9-4-8(1)5-10(3-7)6-9/h3*4-10H,1-3H3;7-10H,1-6H2.
What are the key properties of adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene)?
adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene) has a molecular weight of 869.11 g/mol, XLogP of 12.97, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene) is sourced from PubChem (CID 175349946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).