9-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]-10-[4-[[3-[[4-[10-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]anthracen-9-yl]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]phenyl]anthracene

C104H82O9 — CID 90192995

IUPAC9-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]-10-[4-[[3-[[4-[10-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]anthracen-9-yl]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]phenyl]anthracene
SMILESCOCc1cc(OCc2ccc(-c3c4ccccc4c(-c4ccc(COc5cc(COc6ccccc6)cc(COc6ccccc6)c5)cc4)c4ccccc34)cc2)cc(OCc2ccc(-c3c4ccccc4c(-c4ccc(COc5cc(COc6ccccc6)cc(COc6ccccc6)c5)cc4)c4ccccc34)cc2)c1
InChIInChI=1S/C104H82O9/c1-105-63-80-60-91(112-66-74-42-50-83(51-43-74)103-97-34-18-14-30-93(97)101(94-31-15-19-35-98(94)103)81-46-38-72(39-47-81)64-110-89-56-76(68-106-85-22-6-2-7-23-85)54-77(57-89)69-107-86-24-8-3-9-25-86)62-92(61-80)113-67-75-44-52-84(53-45-75)104-99-36-20-16-32-95(99)102(96-33-17-21-37-100(96)104)82-48-40-73(41-49-82)65-111-90-58-78(70-108-87-26-10-4-11-27-87)55-79(59-90)71-109-88-28-12-5-13-29-88/h2-62H,63-71H2,1H3
InChIKeyMWJJPKMZZDOYES-UHFFFAOYSA-N
MW1475.79 g/mol
LogP25.75
Rot. Bonds30

About 9-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]-10-[4-[[3-[[4-[10-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]anthracen-9-yl]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]phenyl]anthracene

9-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]-10-[4-[[3-[[4-[10-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]anthracen-9-yl]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]phenyl]anthracene (PubChem CID 90192995) has the molecular formula C104H82O9 and a molecular weight of 1475.79 g/mol. Its IUPAC name is 9-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]-10-[4-[[3-[[4-[10-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]anthracen-9-yl]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]phenyl]anthracene.

Molecular Properties

Compound Name9-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]-10-[4-[[3-[[4-[10-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]anthracen-9-yl]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]phenyl]anthracene
PubChem CID90192995
Molecular FormulaC104H82O9
Molecular Weight1475.79 g/mol
Exact Mass1474.60
IUPAC Name9-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]-10-[4-[[3-[[4-[10-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]anthracen-9-yl]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]phenyl]anthracene
SMILESCOCc1cc(OCc2ccc(-c3c4ccccc4c(-c4ccc(COc5cc(COc6ccccc6)cc(COc6ccccc6)c5)cc4)c4ccccc34)cc2)cc(OCc2ccc(-c3c4ccccc4c(-c4ccc(COc5cc(COc6ccccc6)cc(COc6ccccc6)c5)cc4)c4ccccc34)cc2)c1
InChIInChI=1S/C104H82O9/c1-105-63-80-60-91(112-66-74-42-50-83(51-43-74)103-97-34-18-14-30-93(97)101(94-31-15-19-35-98(94)103)81-46-38-72(39-47-81)64-110-89-56-76(68-106-85-22-6-2-7-23-85)54-77(57-89)69-107-86-24-8-3-9-25-86)62-92(61-80)113-67-75-44-52-84(53-45-75)104-99-36-20-16-32-95(99)102(96-33-17-21-37-100(96)104)82-48-40-73(41-49-82)65-111-90-58-78(70-108-87-26-10-4-11-27-87)55-79(59-90)71-109-88-28-12-5-13-29-88/h2-62H,63-71H2,1H3
InChIKeyMWJJPKMZZDOYES-UHFFFAOYSA-N
XLogP25.75
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds30
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001475.79
LogP ≤ 525.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]-10-[4-[[3-[[4-[10-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]anthracen-9-yl]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]phenyl]anthracene with MolForge

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Related Compounds

4-[4-[[3,5-bis[[4-(10-phenylanthracen-9-yl)phenyl]methoxy]phenyl]methoxy]phenyl]-2-[3-[4-[[3,5-bis[[4-(10-phenylanthracen-9-yl)phenyl]methoxy]phenyl]methoxy]phenyl]phenyl]pyridine
CID 149095960
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-fluoro-3-(methoxymethyl)-5-phenylmethoxybenzene
CID 118070659
1-(methoxymethyl)-4-phenylbenzene
CID 14906855
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene
CID 132525104
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
[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
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
formaldehyde;1-(methoxymethyl)-4-phenylbenzene
CID 168878800

Frequently Asked Questions

What is the IUPAC name of 9-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]-10-[4-[[3-[[4-[10-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]anthracen-9-yl]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]phenyl]anthracene?
The IUPAC name of 9-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]-10-[4-[[3-[[4-[10-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]anthracen-9-yl]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]phenyl]anthracene (CID 90192995) is 9-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]-10-[4-[[3-[[4-[10-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]anthracen-9-yl]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]phenyl]anthracene.
What is the SMILES notation for 9-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]-10-[4-[[3-[[4-[10-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]anthracen-9-yl]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]phenyl]anthracene?
The canonical SMILES for 9-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]-10-[4-[[3-[[4-[10-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]anthracen-9-yl]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]phenyl]anthracene is COCc1cc(OCc2ccc(-c3c4ccccc4c(-c4ccc(COc5cc(COc6ccccc6)cc(COc6ccccc6)c5)cc4)c4ccccc34)cc2)cc(OCc2ccc(-c3c4ccccc4c(-c4ccc(COc5cc(COc6ccccc6)cc(COc6ccccc6)c5)cc4)c4ccccc34)cc2)c1.
What is the InChIKey of 9-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]-10-[4-[[3-[[4-[10-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]anthracen-9-yl]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]phenyl]anthracene?
The InChIKey is MWJJPKMZZDOYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H82O9/c1-105-63-80-60-91(112-66-74-42-50-83(51-43-74)103-97-34-18-14-30-93(97)101(94-31-15-19-35-98(94)103)81-46-38-72(39-47-81)64-110-89-56-76(68-106-85-22-6-2-7-23-85)54-77(57-89)69-107-86-24-8-3-9-25-86)62-92(61-80)113-67-75-44-52-84(53-45-75)104-99-36-20-16-32-95(99)102(96-33-17-21-37-100(96)104)82-48-40-73(41-49-82)65-111-90-58-78(70-108-87-26-10-4-11-27-87)55-79(59-90)71-109-88-28-12-5-13-29-88/h2-62H,63-71H2,1H3.
What are the key properties of 9-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]-10-[4-[[3-[[4-[10-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]anthracen-9-yl]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]phenyl]anthracene?
9-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]-10-[4-[[3-[[4-[10-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]anthracen-9-yl]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]phenyl]anthracene has a molecular weight of 1475.79 g/mol, XLogP of 25.75, 30 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]-10-[4-[[3-[[4-[10-[4-[[3,5-bis(phenoxymethyl)phenoxy]methyl]phenyl]anthracen-9-yl]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]phenyl]anthracene is sourced from PubChem (CID 90192995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).