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

C114H108O19 — CID 102077079

IUPAC17,18-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
SMILESc1ccc(COc2cc(COc3cc(COCc4cc5c(cc4COCc4cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)c4)OCCOCCOCCOCCO5)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C114H108O19/c1-9-25-85(26-10-1)71-122-105-53-95(54-106(65-105)123-72-86-27-11-2-12-28-86)79-130-101-49-93(50-102(63-101)131-80-96-55-107(124-73-87-29-13-3-14-30-87)66-108(56-96)125-74-88-31-15-4-16-32-88)69-118-83-99-61-113-114(121-48-46-117-44-42-115-41-43-116-45-47-120-113)62-100(99)84-119-70-94-51-103(132-81-97-57-109(126-75-89-33-17-5-18-34-89)67-110(58-97)127-76-90-35-19-6-20-36-90)64-104(52-94)133-82-98-59-111(128-77-91-37-21-7-22-38-91)68-112(60-98)129-78-92-39-23-8-24-40-92/h1-40,49-68H,41-48,69-84H2
InChIKeyVKYROWUOWXHDGG-UHFFFAOYSA-N
MW1782.10 g/mol
LogP23.89
Rot. Bonds44

About 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

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 (PubChem CID 102077079) has the molecular formula C114H108O19 and a molecular weight of 1782.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name17,18-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
PubChem CID102077079
Molecular FormulaC114H108O19
Molecular Weight1782.10 g/mol
Exact Mass1780.75
IUPAC Name17,18-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
SMILESc1ccc(COc2cc(COc3cc(COCc4cc5c(cc4COCc4cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)c4)OCCOCCOCCOCCO5)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C114H108O19/c1-9-25-85(26-10-1)71-122-105-53-95(54-106(65-105)123-72-86-27-11-2-12-28-86)79-130-101-49-93(50-102(63-101)131-80-96-55-107(124-73-87-29-13-3-14-30-87)66-108(56-96)125-74-88-31-15-4-16-32-88)69-118-83-99-61-113-114(121-48-46-117-44-42-115-41-43-116-45-47-120-113)62-100(99)84-119-70-94-51-103(132-81-97-57-109(126-75-89-33-17-5-18-34-89)67-110(58-97)127-76-90-35-19-6-20-36-90)64-104(52-94)133-82-98-59-111(128-77-91-37-21-7-22-38-91)68-112(60-98)129-78-92-39-23-8-24-40-92/h1-40,49-68H,41-48,69-84H2
InChIKeyVKYROWUOWXHDGG-UHFFFAOYSA-N
XLogP23.89
TPSA175.37 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds44
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001782.10
LogP ≤ 523.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Related Compounds

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
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
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(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(COc2cc(COc3cc(COCc4cc5c(cc4COCc4cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)c4)OCCOCCOCCOCCO5)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is VKYROWUOWXHDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H108O19/c1-9-25-85(26-10-1)71-122-105-53-95(54-106(65-105)123-72-86-27-11-2-12-28-86)79-130-101-49-93(50-102(63-101)131-80-96-55-107(124-73-87-29-13-3-14-30-87)66-108(56-96)125-74-88-31-15-4-16-32-88)69-118-83-99-61-113-114(121-48-46-117-44-42-115-41-43-116-45-47-120-113)62-100(99)84-119-70-94-51-103(132-81-97-57-109(126-75-89-33-17-5-18-34-89)67-110(58-97)127-76-90-35-19-6-20-36-90)64-104(52-94)133-82-98-59-111(128-77-91-37-21-7-22-38-91)68-112(60-98)129-78-92-39-23-8-24-40-92/h1-40,49-68H,41-48,69-84H2.
What are the key properties of 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?
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 has a molecular weight of 1782.10 g/mol, XLogP of 23.89, 44 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 102077079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).