14,15-bis[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene

C56H56O10 — CID 102077073

IUPAC14,15-bis[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
SMILESc1ccc(COc2cc(COCc3cc4c(cc3COCc3cc(OCc5ccccc5)cc(OCc5ccccc5)c3)OCCOCCOCCO4)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C56H56O10/c1-5-13-43(14-6-1)37-63-51-27-47(28-52(33-51)64-38-44-15-7-2-8-16-44)35-59-41-49-31-55-56(62-26-24-58-22-21-57-23-25-61-55)32-50(49)42-60-36-48-29-53(65-39-45-17-9-3-10-18-45)34-54(30-48)66-40-46-19-11-4-12-20-46/h1-20,27-34H,21-26,35-42H2
InChIKeyGZSFXAYKYCJZBR-UHFFFAOYSA-N
MW889.05 g/mol
LogP11.24
Rot. Bonds20

About 14,15-bis[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene

14,15-bis[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene (PubChem CID 102077073) has the molecular formula C56H56O10 and a molecular weight of 889.05 g/mol. Its IUPAC name is 14,15-bis[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene.

Molecular Properties

Compound Name14,15-bis[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
PubChem CID102077073
Molecular FormulaC56H56O10
Molecular Weight889.05 g/mol
Exact Mass888.39
IUPAC Name14,15-bis[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
SMILESc1ccc(COc2cc(COCc3cc4c(cc3COCc3cc(OCc5ccccc5)cc(OCc5ccccc5)c3)OCCOCCOCCO4)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C56H56O10/c1-5-13-43(14-6-1)37-63-51-27-47(28-52(33-51)64-38-44-15-7-2-8-16-44)35-59-41-49-31-55-56(62-26-24-58-22-21-57-23-25-61-55)32-50(49)42-60-36-48-29-53(65-39-45-17-9-3-10-18-45)34-54(30-48)66-40-46-19-11-4-12-20-46/h1-20,27-34H,21-26,35-42H2
InChIKeyGZSFXAYKYCJZBR-UHFFFAOYSA-N
XLogP11.24
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.05
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

17,18-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 102077079
14,15-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
CID 102077077
2-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane
CID 101012741
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
[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
14-[[2-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethoxy)phenoxy]methyl]-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaene
CID 11491620
5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 123448415
4-phenylmethoxy-2-(phenylmethoxymethyl)aniline
CID 58999316
3-[[3,5-bis[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]propoxy]phenyl]methoxy]propan-1-ol
CID 100984573
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene
CID 59422757

Frequently Asked Questions

What is the IUPAC name of 14,15-bis[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene?
The IUPAC name of 14,15-bis[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene (CID 102077073) is 14,15-bis[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene.
What is the SMILES notation for 14,15-bis[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene?
The canonical SMILES for 14,15-bis[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene is c1ccc(COc2cc(COCc3cc4c(cc3COCc3cc(OCc5ccccc5)cc(OCc5ccccc5)c3)OCCOCCOCCO4)cc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 14,15-bis[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene?
The InChIKey is GZSFXAYKYCJZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H56O10/c1-5-13-43(14-6-1)37-63-51-27-47(28-52(33-51)64-38-44-15-7-2-8-16-44)35-59-41-49-31-55-56(62-26-24-58-22-21-57-23-25-61-55)32-50(49)42-60-36-48-29-53(65-39-45-17-9-3-10-18-45)34-54(30-48)66-40-46-19-11-4-12-20-46/h1-20,27-34H,21-26,35-42H2.
What are the key properties of 14,15-bis[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene?
14,15-bis[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene has a molecular weight of 889.05 g/mol, XLogP of 11.24, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 14,15-bis[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene is sourced from PubChem (CID 102077073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).