5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene

C65H58O7 — CID 101072017

IUPAC5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
SMILESc1ccc(COc2cc(COc3cc(COc4cc5ccc4CCc4ccc(cc4)CC5)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C65H58O7/c1-5-13-51(14-6-1)41-66-59-31-55(32-60(38-59)67-42-52-15-7-2-8-16-52)45-70-63-35-57(47-72-65-37-50-26-25-48-21-23-49(24-22-48)27-29-58(65)30-28-50)36-64(40-63)71-46-56-33-61(68-43-53-17-9-3-10-18-53)39-62(34-56)69-44-54-19-11-4-12-20-54/h1-24,28,30-40H,25-27,29,41-47H2
InChIKeyKISXNTMAUMABHG-UHFFFAOYSA-N
MW951.17 g/mol
LogP14.62
Rot. Bonds21

About 5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene

5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene (PubChem CID 101072017) has the molecular formula C65H58O7 and a molecular weight of 951.17 g/mol. Its IUPAC name is 5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene.

Molecular Properties

Compound Name5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
PubChem CID101072017
Molecular FormulaC65H58O7
Molecular Weight951.17 g/mol
Exact Mass950.42
IUPAC Name5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
SMILESc1ccc(COc2cc(COc3cc(COc4cc5ccc4CCc4ccc(cc4)CC5)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C65H58O7/c1-5-13-51(14-6-1)41-66-59-31-55(32-60(38-59)67-42-52-15-7-2-8-16-52)45-70-63-35-57(47-72-65-37-50-26-25-48-21-23-49(24-22-48)27-29-58(65)30-28-50)36-64(40-63)71-46-56-33-61(68-43-53-17-9-3-10-18-53)39-62(34-56)69-44-54-19-11-4-12-20-54/h1-24,28,30-40H,25-27,29,41-47H2
InChIKeyKISXNTMAUMABHG-UHFFFAOYSA-N
XLogP14.62
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.17
LogP ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene with MolForge

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Related Compounds

1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
5,12,19-tris[[3,5-bis(phenylmethoxy)phenyl]methoxy]-6,13,20-trimethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 100981956
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene
CID 59422757
[2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 101008055
4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol
CID 102320796
cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol
CID 71610242
1,3-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-2H-imidazole
CID 101386591
1-iodo-3,5-bis(phenylmethoxy)benzene
CID 15389195
1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene
CID 132525104

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The IUPAC name of 5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene (CID 101072017) is 5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene.
What is the SMILES notation for 5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The canonical SMILES for 5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene is c1ccc(COc2cc(COc3cc(COc4cc5ccc4CCc4ccc(cc4)CC5)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The InChIKey is KISXNTMAUMABHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H58O7/c1-5-13-51(14-6-1)41-66-59-31-55(32-60(38-59)67-42-52-15-7-2-8-16-52)45-70-63-35-57(47-72-65-37-50-26-25-48-21-23-49(24-22-48)27-29-58(65)30-28-50)36-64(40-63)71-46-56-33-61(68-43-53-17-9-3-10-18-53)39-62(34-56)69-44-54-19-11-4-12-20-54/h1-24,28,30-40H,25-27,29,41-47H2.
What are the key properties of 5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene has a molecular weight of 951.17 g/mol, XLogP of 14.62, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene is sourced from PubChem (CID 101072017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).