4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol

C129H84O12 — CID 122211768

IUPAC4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol
SMILESCc1c(-c2cc(-c3c4ccccc4c(-c4cc(-c5c6ccccc6cc6ccccc56)c(O)cc4O)c4ccccc34)c(O)cc2O)c(C)c(-c2cc(-c3c4ccccc4c(-c4cc(-c5c6ccccc6cc6ccccc56)c(O)cc4O)c4ccccc34)c(O)cc2O)c(C)c1-c1cc(-c2c3ccccc3c(-c3cc(-c4c5ccccc5cc5ccccc45)c(O)cc3O)c3ccccc23)c(O)cc1O
InChIInChI=1S/C129H84O12/c1-67-118(94-55-100(112(136)61-106(94)130)124-82-40-16-22-46-88(82)127(89-47-23-17-41-83(89)124)103-58-97(109(133)64-115(103)139)121-76-34-10-4-28-70(76)52-71-29-5-11-35-77(71)121)68(2)120(96-57-102(114(138)63-108(96)132)126-86-44-20-26-50-92(86)129(93-51-27-21-45-87(93)126)105-60-99(111(135)66-117(105)141)123-80-38-14-8-32-74(80)54-75-33-9-15-39-81(75)123)69(3)119(67)95-56-101(113(137)62-107(95)131)125-84-42-18-24-48-90(84)128(91-49-25-19-43-85(91)125)104-59-98(110(134)65-116(104)140)122-78-36-12-6-30-72(78)53-73-31-7-13-37-79(73)122/h4-66,130-141H,1-3H3
InChIKeyHTPBRKIPMZSZBB-UHFFFAOYSA-N
MW1826.08 g/mol
LogP32.92
Rot. Bonds12

About 4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol

4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol (PubChem CID 122211768) has the molecular formula C129H84O12 and a molecular weight of 1826.08 g/mol. Its IUPAC name is 4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol
PubChem CID122211768
Molecular FormulaC129H84O12
Molecular Weight1826.08 g/mol
Exact Mass1824.60
IUPAC Name4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol
SMILESCc1c(-c2cc(-c3c4ccccc4c(-c4cc(-c5c6ccccc6cc6ccccc56)c(O)cc4O)c4ccccc34)c(O)cc2O)c(C)c(-c2cc(-c3c4ccccc4c(-c4cc(-c5c6ccccc6cc6ccccc56)c(O)cc4O)c4ccccc34)c(O)cc2O)c(C)c1-c1cc(-c2c3ccccc3c(-c3cc(-c4c5ccccc5cc5ccccc45)c(O)cc3O)c3ccccc23)c(O)cc1O
InChIInChI=1S/C129H84O12/c1-67-118(94-55-100(112(136)61-106(94)130)124-82-40-16-22-46-88(82)127(89-47-23-17-41-83(89)124)103-58-97(109(133)64-115(103)139)121-76-34-10-4-28-70(76)52-71-29-5-11-35-77(71)121)68(2)120(96-57-102(114(138)63-108(96)132)126-86-44-20-26-50-92(86)129(93-51-27-21-45-87(93)126)105-60-99(111(135)66-117(105)141)123-80-38-14-8-32-74(80)54-75-33-9-15-39-81(75)123)69(3)119(67)95-56-101(113(137)62-107(95)131)125-84-42-18-24-48-90(84)128(91-49-25-19-43-85(91)125)104-59-98(110(134)65-116(104)140)122-78-36-12-6-30-72(78)53-73-31-7-13-37-79(73)122/h4-66,130-141H,1-3H3
InChIKeyHTPBRKIPMZSZBB-UHFFFAOYSA-N
XLogP32.92
TPSA242.76 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001826.08
LogP ≤ 532.92
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol with MolForge

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Related Compounds

9-anthracen-9-ylanthracene;toluene
CID 86148014
9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene
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2-[1-[2-(2-hydroxyphenyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenol
CID 4181148
4-anthracen-9-yl-2-methylphenol
CID 156873853
9-methylanthracene;naphthalene
CID 142881908
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
lithium;hydride;9-methylanthracene
CID 174773747
ethane;9-methylanthracene;naphthalene
CID 161226057
9,10-di(anthracen-1-yl)anthracene
CID 58645093
2-[1-methyl-4-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran-2-yl]phenol
CID 121279988
9-methyl-10-(3-phenylnaphthalen-1-yl)anthracene
CID 171046034
3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene
CID 140603460

Frequently Asked Questions

What is the IUPAC name of 4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol?
The IUPAC name of 4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol (CID 122211768) is 4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol.
What is the SMILES notation for 4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol?
The canonical SMILES for 4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol is Cc1c(-c2cc(-c3c4ccccc4c(-c4cc(-c5c6ccccc6cc6ccccc56)c(O)cc4O)c4ccccc34)c(O)cc2O)c(C)c(-c2cc(-c3c4ccccc4c(-c4cc(-c5c6ccccc6cc6ccccc56)c(O)cc4O)c4ccccc34)c(O)cc2O)c(C)c1-c1cc(-c2c3ccccc3c(-c3cc(-c4c5ccccc5cc5ccccc45)c(O)cc3O)c3ccccc23)c(O)cc1O.
What is the InChIKey of 4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol?
The InChIKey is HTPBRKIPMZSZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C129H84O12/c1-67-118(94-55-100(112(136)61-106(94)130)124-82-40-16-22-46-88(82)127(89-47-23-17-41-83(89)124)103-58-97(109(133)64-115(103)139)121-76-34-10-4-28-70(76)52-71-29-5-11-35-77(71)121)68(2)120(96-57-102(114(138)63-108(96)132)126-86-44-20-26-50-92(86)129(93-51-27-21-45-87(93)126)105-60-99(111(135)66-117(105)141)123-80-38-14-8-32-74(80)54-75-33-9-15-39-81(75)123)69(3)119(67)95-56-101(113(137)62-107(95)131)125-84-42-18-24-48-90(84)128(91-49-25-19-43-85(91)125)104-59-98(110(134)65-116(104)140)122-78-36-12-6-30-72(78)53-73-31-7-13-37-79(73)122/h4-66,130-141H,1-3H3.
What are the key properties of 4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol?
4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol has a molecular weight of 1826.08 g/mol, XLogP of 32.92, 12 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol is sourced from PubChem (CID 122211768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).