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

C112H104O18 — CID 102077077

IUPAC14,15-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
SMILESc1ccc(COc2cc(COc3cc(COCc4cc5c(cc4COCc4cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)c4)OCCOCCOCCO5)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C112H104O18/c1-9-25-83(26-10-1)69-119-103-51-93(52-104(63-103)120-70-84-27-11-2-12-28-84)77-127-99-47-91(48-100(61-99)128-78-94-53-105(121-71-85-29-13-3-14-30-85)64-106(54-94)122-72-86-31-15-4-16-32-86)67-115-81-97-59-111-112(118-46-44-114-42-41-113-43-45-117-111)60-98(97)82-116-68-92-49-101(129-79-95-55-107(123-73-87-33-17-5-18-34-87)65-108(56-95)124-74-88-35-19-6-20-36-88)62-102(50-92)130-80-96-57-109(125-75-89-37-21-7-22-38-89)66-110(58-96)126-76-90-39-23-8-24-40-90/h1-40,47-66H,41-46,67-82H2
InChIKeyBPZQYRKQORIHJJ-UHFFFAOYSA-N
MW1738.05 g/mol
LogP23.87
Rot. Bonds44

About 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

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 (PubChem CID 102077077) has the molecular formula C112H104O18 and a molecular weight of 1738.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14,15-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
PubChem CID102077077
Molecular FormulaC112H104O18
Molecular Weight1738.05 g/mol
Exact Mass1736.72
IUPAC Name14,15-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
SMILESc1ccc(COc2cc(COc3cc(COCc4cc5c(cc4COCc4cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)c4)OCCOCCOCCO5)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C112H104O18/c1-9-25-83(26-10-1)69-119-103-51-93(52-104(63-103)120-70-84-27-11-2-12-28-84)77-127-99-47-91(48-100(61-99)128-78-94-53-105(121-71-85-29-13-3-14-30-85)64-106(54-94)122-72-86-31-15-4-16-32-86)67-115-81-97-59-111-112(118-46-44-114-42-41-113-43-45-117-111)60-98(97)82-116-68-92-49-101(129-79-95-55-107(123-73-87-33-17-5-18-34-87)65-108(56-95)124-74-88-35-19-6-20-36-88)62-102(50-92)130-80-96-57-109(125-75-89-37-21-7-22-38-89)66-110(58-96)126-76-90-39-23-8-24-40-90/h1-40,47-66H,41-46,67-82H2
InChIKeyBPZQYRKQORIHJJ-UHFFFAOYSA-N
XLogP23.87
TPSA166.14 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds44
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001738.05
LogP ≤ 523.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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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(phenylmethoxy)phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
CID 102077073
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[[3,5-bis(phenylmethoxy)phenyl]methoxy]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[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene (CID 102077077) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(COc2cc(COc3cc(COCc4cc5c(cc4COCc4cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)c4)OCCOCCOCCO5)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is BPZQYRKQORIHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H104O18/c1-9-25-83(26-10-1)69-119-103-51-93(52-104(63-103)120-70-84-27-11-2-12-28-84)77-127-99-47-91(48-100(61-99)128-78-94-53-105(121-71-85-29-13-3-14-30-85)64-106(54-94)122-72-86-31-15-4-16-32-86)67-115-81-97-59-111-112(118-46-44-114-42-41-113-43-45-117-111)60-98(97)82-116-68-92-49-101(129-79-95-55-107(123-73-87-33-17-5-18-34-87)65-108(56-95)124-74-88-35-19-6-20-36-88)62-102(50-92)130-80-96-57-109(125-75-89-37-21-7-22-38-89)66-110(58-96)126-76-90-39-23-8-24-40-90/h1-40,47-66H,41-46,67-82H2.
What are the key properties of 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?
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 has a molecular weight of 1738.05 g/mol, XLogP of 23.87, 44 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 102077077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).