5-methoxy-6-(6-methoxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene

C34H34O2 — CID 11488347

IUPAC5-methoxy-6-(6-methoxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
SMILESCOc1c2ccc(c1-c1c3ccc(c1OC)CCc1ccc(cc1)CC3)CCc1ccc(cc1)CC2
InChIInChI=1S/C34H34O2/c1-35-33-29-17-13-25-7-3-23(4-8-25)11-15-27(19-21-29)31(33)32-28-16-12-24-5-9-26(10-6-24)14-18-30(22-20-28)34(32)36-2/h3-10,19-22H,11-18H2,1-2H3
InChIKeyOBOKCWIBOJTPTP-UHFFFAOYSA-N
MW474.64 g/mol
LogP7.14
Rot. Bonds3

About 5-methoxy-6-(6-methoxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene

5-methoxy-6-(6-methoxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene (PubChem CID 11488347) has the molecular formula C34H34O2 and a molecular weight of 474.64 g/mol. Its IUPAC name is 5-methoxy-6-(6-methoxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene.

Molecular Properties

Compound Name5-methoxy-6-(6-methoxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
PubChem CID11488347
Molecular FormulaC34H34O2
Molecular Weight474.64 g/mol
Exact Mass474.26
IUPAC Name5-methoxy-6-(6-methoxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
SMILESCOc1c2ccc(c1-c1c3ccc(c1OC)CCc1ccc(cc1)CC3)CCc1ccc(cc1)CC2
InChIInChI=1S/C34H34O2/c1-35-33-29-17-13-25-7-3-23(4-8-25)11-15-27(19-21-29)31(33)32-28-16-12-24-5-9-26(10-6-24)14-18-30(22-20-28)34(32)36-2/h3-10,19-22H,11-18H2,1-2H3
InChIKeyOBOKCWIBOJTPTP-UHFFFAOYSA-N
XLogP7.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.64
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methoxy-6-(6-methoxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene with MolForge

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Related Compounds

6-bromo-16-methoxytricyclo[9.2.2.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene
CID 15474853
3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-1(14),2,4,6,8,10,12-heptaene
CID 101462023
5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 15073818
5-methoxypentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene
CID 16658388
12-bromo-6-tert-butyl-16-methoxytricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaene
CID 10339292
6,7-dimethoxy-2,3-dihydroinden-1-one
CID 15292475
6-trimethylsilyloxytricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde
CID 102532959
16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene
CID 14816261
11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene
CID 14737390
methyl tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxylate
CID 4200703
3,16-dithiaheptacyclo[16.8.2.25,14.28,11.221,24.02,17.04,15]tetratriaconta-1,4,8,10,14,17,21,23,27,29,31,33-dodecaene
CID 101182324
(4-methoxyphenyl)-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)iodanium
CID 88910394

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(6-methoxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The IUPAC name of 5-methoxy-6-(6-methoxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene (CID 11488347) is 5-methoxy-6-(6-methoxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene.
What is the SMILES notation for 5-methoxy-6-(6-methoxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The canonical SMILES for 5-methoxy-6-(6-methoxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene is COc1c2ccc(c1-c1c3ccc(c1OC)CCc1ccc(cc1)CC3)CCc1ccc(cc1)CC2.
What is the InChIKey of 5-methoxy-6-(6-methoxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The InChIKey is OBOKCWIBOJTPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34O2/c1-35-33-29-17-13-25-7-3-23(4-8-25)11-15-27(19-21-29)31(33)32-28-16-12-24-5-9-26(10-6-24)14-18-30(22-20-28)34(32)36-2/h3-10,19-22H,11-18H2,1-2H3.
What are the key properties of 5-methoxy-6-(6-methoxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
5-methoxy-6-(6-methoxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene has a molecular weight of 474.64 g/mol, XLogP of 7.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(6-methoxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene is sourced from PubChem (CID 11488347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).