2-[10-[2,6-dihydroxy-3,5-dimethyl-4-[4-[10-phenyl-3-(8-phenylnaphthalen-1-yl)anthracen-9-yl]phenoxy]phenyl]-3-phenylanthracen-9-yl]-4,6-dimethylbenzene-1,3,5-triol

C78H56O6 — CID 163696454

IUPAC2-[10-[2,6-dihydroxy-3,5-dimethyl-4-[4-[10-phenyl-3-(8-phenylnaphthalen-1-yl)anthracen-9-yl]phenoxy]phenyl]-3-phenylanthracen-9-yl]-4,6-dimethylbenzene-1,3,5-triol
SMILESCc1c(O)c(C)c(O)c(-c2c3ccccc3c(-c3c(O)c(C)c(Oc4ccc(-c5c6ccccc6c(-c6ccccc6)c6cc(-c7cccc8cccc(-c9ccccc9)c78)ccc56)cc4)c(C)c3O)c3cc(-c4ccccc4)ccc23)c1O
InChIInChI=1S/C78H56O6/c1-44-73(79)45(2)75(81)71(74(44)80)69-60-30-16-17-31-61(60)70(65-42-53(36-40-63(65)69)48-20-8-5-9-21-48)72-76(82)46(3)78(47(4)77(72)83)84-55-38-34-52(35-39-55)67-58-28-14-15-29-59(58)68(50-24-12-7-13-25-50)64-43-54(37-41-62(64)67)57-33-19-27-51-26-18-32-56(66(51)57)49-22-10-6-11-23-49/h5-43,79-83H,1-4H3
InChIKeyJXJLPRBCLKXTCP-UHFFFAOYSA-N
MW1089.30 g/mol
LogP20.68
Rot. Bonds9

About 2-[10-[2,6-dihydroxy-3,5-dimethyl-4-[4-[10-phenyl-3-(8-phenylnaphthalen-1-yl)anthracen-9-yl]phenoxy]phenyl]-3-phenylanthracen-9-yl]-4,6-dimethylbenzene-1,3,5-triol

2-[10-[2,6-dihydroxy-3,5-dimethyl-4-[4-[10-phenyl-3-(8-phenylnaphthalen-1-yl)anthracen-9-yl]phenoxy]phenyl]-3-phenylanthracen-9-yl]-4,6-dimethylbenzene-1,3,5-triol (PubChem CID 163696454) has the molecular formula C78H56O6 and a molecular weight of 1089.30 g/mol. Its IUPAC name is 2-[10-[2,6-dihydroxy-3,5-dimethyl-4-[4-[10-phenyl-3-(8-phenylnaphthalen-1-yl)anthracen-9-yl]phenoxy]phenyl]-3-phenylanthracen-9-yl]-4,6-dimethylbenzene-1,3,5-triol.

Molecular Properties

Compound Name2-[10-[2,6-dihydroxy-3,5-dimethyl-4-[4-[10-phenyl-3-(8-phenylnaphthalen-1-yl)anthracen-9-yl]phenoxy]phenyl]-3-phenylanthracen-9-yl]-4,6-dimethylbenzene-1,3,5-triol
PubChem CID163696454
Molecular FormulaC78H56O6
Molecular Weight1089.30 g/mol
Exact Mass1088.41
IUPAC Name2-[10-[2,6-dihydroxy-3,5-dimethyl-4-[4-[10-phenyl-3-(8-phenylnaphthalen-1-yl)anthracen-9-yl]phenoxy]phenyl]-3-phenylanthracen-9-yl]-4,6-dimethylbenzene-1,3,5-triol
SMILESCc1c(O)c(C)c(O)c(-c2c3ccccc3c(-c3c(O)c(C)c(Oc4ccc(-c5c6ccccc6c(-c6ccccc6)c6cc(-c7cccc8cccc(-c9ccccc9)c78)ccc56)cc4)c(C)c3O)c3cc(-c4ccccc4)ccc23)c1O
InChIInChI=1S/C78H56O6/c1-44-73(79)45(2)75(81)71(74(44)80)69-60-30-16-17-31-61(60)70(65-42-53(36-40-63(65)69)48-20-8-5-9-21-48)72-76(82)46(3)78(47(4)77(72)83)84-55-38-34-52(35-39-55)67-58-28-14-15-29-59(58)68(50-24-12-7-13-25-50)64-43-54(37-41-62(64)67)57-33-19-27-51-26-18-32-56(66(51)57)49-22-10-6-11-23-49/h5-43,79-83H,1-4H3
InChIKeyJXJLPRBCLKXTCP-UHFFFAOYSA-N
XLogP20.68
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001089.30
LogP ≤ 520.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[10-[2,6-dihydroxy-3,5-dimethyl-4-[4-[10-phenyl-3-(8-phenylnaphthalen-1-yl)anthracen-9-yl]phenoxy]phenyl]-3-phenylanthracen-9-yl]-4,6-dimethylbenzene-1,3,5-triol with MolForge

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Related Compounds

10-(4-naphthalen-1-ylphenyl)-9-phenyl-2-(8-phenylnaphthalen-1-yl)anthracene
CID 123378764
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535154
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
2-(4,5-diphenylnaphthalen-1-yl)-9-phenyl-10-(4-phenylphenyl)anthracene
CID 123360409
7,12-bis(4-ethoxyphenyl)-9-phenylbenzo[k]fluoranthene
CID 157244070
2-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)-9-phenylanthracene;2-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-9-phenylanthracene;2-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)-9-phenylanthracene;9-phenyl-10-[4-(3-phenylphenyl)phenyl]anthracene;9-phenyl-10-[4-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 158805732
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 140856123
2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene
CID 58875734
9,10-bis(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-diphenyl-2-(2-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(4-phenylphenyl)anthracene;9-[2-(2-phenylphenyl)phenyl]-10-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 159977577
1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene
CID 59859301

Frequently Asked Questions

What is the IUPAC name of 2-[10-[2,6-dihydroxy-3,5-dimethyl-4-[4-[10-phenyl-3-(8-phenylnaphthalen-1-yl)anthracen-9-yl]phenoxy]phenyl]-3-phenylanthracen-9-yl]-4,6-dimethylbenzene-1,3,5-triol?
The IUPAC name of 2-[10-[2,6-dihydroxy-3,5-dimethyl-4-[4-[10-phenyl-3-(8-phenylnaphthalen-1-yl)anthracen-9-yl]phenoxy]phenyl]-3-phenylanthracen-9-yl]-4,6-dimethylbenzene-1,3,5-triol (CID 163696454) is 2-[10-[2,6-dihydroxy-3,5-dimethyl-4-[4-[10-phenyl-3-(8-phenylnaphthalen-1-yl)anthracen-9-yl]phenoxy]phenyl]-3-phenylanthracen-9-yl]-4,6-dimethylbenzene-1,3,5-triol.
What is the SMILES notation for 2-[10-[2,6-dihydroxy-3,5-dimethyl-4-[4-[10-phenyl-3-(8-phenylnaphthalen-1-yl)anthracen-9-yl]phenoxy]phenyl]-3-phenylanthracen-9-yl]-4,6-dimethylbenzene-1,3,5-triol?
The canonical SMILES for 2-[10-[2,6-dihydroxy-3,5-dimethyl-4-[4-[10-phenyl-3-(8-phenylnaphthalen-1-yl)anthracen-9-yl]phenoxy]phenyl]-3-phenylanthracen-9-yl]-4,6-dimethylbenzene-1,3,5-triol is Cc1c(O)c(C)c(O)c(-c2c3ccccc3c(-c3c(O)c(C)c(Oc4ccc(-c5c6ccccc6c(-c6ccccc6)c6cc(-c7cccc8cccc(-c9ccccc9)c78)ccc56)cc4)c(C)c3O)c3cc(-c4ccccc4)ccc23)c1O.
What is the InChIKey of 2-[10-[2,6-dihydroxy-3,5-dimethyl-4-[4-[10-phenyl-3-(8-phenylnaphthalen-1-yl)anthracen-9-yl]phenoxy]phenyl]-3-phenylanthracen-9-yl]-4,6-dimethylbenzene-1,3,5-triol?
The InChIKey is JXJLPRBCLKXTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H56O6/c1-44-73(79)45(2)75(81)71(74(44)80)69-60-30-16-17-31-61(60)70(65-42-53(36-40-63(65)69)48-20-8-5-9-21-48)72-76(82)46(3)78(47(4)77(72)83)84-55-38-34-52(35-39-55)67-58-28-14-15-29-59(58)68(50-24-12-7-13-25-50)64-43-54(37-41-62(64)67)57-33-19-27-51-26-18-32-56(66(51)57)49-22-10-6-11-23-49/h5-43,79-83H,1-4H3.
What are the key properties of 2-[10-[2,6-dihydroxy-3,5-dimethyl-4-[4-[10-phenyl-3-(8-phenylnaphthalen-1-yl)anthracen-9-yl]phenoxy]phenyl]-3-phenylanthracen-9-yl]-4,6-dimethylbenzene-1,3,5-triol?
2-[10-[2,6-dihydroxy-3,5-dimethyl-4-[4-[10-phenyl-3-(8-phenylnaphthalen-1-yl)anthracen-9-yl]phenoxy]phenyl]-3-phenylanthracen-9-yl]-4,6-dimethylbenzene-1,3,5-triol has a molecular weight of 1089.30 g/mol, XLogP of 20.68, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[2,6-dihydroxy-3,5-dimethyl-4-[4-[10-phenyl-3-(8-phenylnaphthalen-1-yl)anthracen-9-yl]phenoxy]phenyl]-3-phenylanthracen-9-yl]-4,6-dimethylbenzene-1,3,5-triol is sourced from PubChem (CID 163696454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).