9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene-9,10-diol

C120H78O2 — CID 159047940

IUPAC9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene-9,10-diol
SMILESOC1(c2ccc3ccccc3c2)c2ccccc2C(O)(c2ccc3ccccc3c2)c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C60H40O2.C60H38/c61-59(47-33-30-39-14-4-6-18-44(39)36-47)53-24-12-13-25-54(53)60(62,48-34-31-40-15-5-7-19-45(40)37-48)56-38-46(32-35-55(56)59)41-26-28-43(29-27-41)58-51-22-10-8-20-49(51)57(42-16-2-1-3-17-42)50-21-9-11-23-52(50)58;1-2-16-42(17-3-1)57-49-20-8-10-22-51(49)58(52-23-11-9-21-50(52)57)43-30-26-41(27-31-43)46-34-35-55-56(38-46)60(48-33-29-40-15-5-7-19-45(40)37-48)54-25-13-12-24-53(54)59(55)47-32-28-39-14-4-6-18-44(39)36-47/h1-38,61-62H;1-38H
InChIKeyJWWUOJYEGFEBRM-UHFFFAOYSA-N
MW1551.94 g/mol
LogP31.12
Rot. Bonds10

About 9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene-9,10-diol

9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene-9,10-diol (PubChem CID 159047940) has the molecular formula C120H78O2 and a molecular weight of 1551.94 g/mol. Its IUPAC name is 9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene-9,10-diol.

Molecular Properties

Compound Name9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene-9,10-diol
PubChem CID159047940
Molecular FormulaC120H78O2
Molecular Weight1551.94 g/mol
Exact Mass1550.60
IUPAC Name9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene-9,10-diol
SMILESOC1(c2ccc3ccccc3c2)c2ccccc2C(O)(c2ccc3ccccc3c2)c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C60H40O2.C60H38/c61-59(47-33-30-39-14-4-6-18-44(39)36-47)53-24-12-13-25-54(53)60(62,48-34-31-40-15-5-7-19-45(40)37-48)56-38-46(32-35-55(56)59)41-26-28-43(29-27-41)58-51-22-10-8-20-49(51)57(42-16-2-1-3-17-42)50-21-9-11-23-52(50)58;1-2-16-42(17-3-1)57-49-20-8-10-22-51(49)58(52-23-11-9-21-50(52)57)43-30-26-41(27-31-43)46-34-35-55-56(38-46)60(48-33-29-40-15-5-7-19-45(40)37-48)54-25-13-12-24-53(54)59(55)47-32-28-39-14-4-6-18-44(39)36-47/h1-38,61-62H;1-38H
InChIKeyJWWUOJYEGFEBRM-UHFFFAOYSA-N
XLogP31.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001551.94
LogP ≤ 531.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene-9,10-diol with MolForge

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Related Compounds

10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene
CID 123794949
10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-2-ylanthracene;2,10-diphenyl-9-(4-phenylphenyl)anthracene;2,9,10-tris(9,9-dimethylfluoren-2-yl)anthracene
CID 162071769
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
CID 159520005
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716

Frequently Asked Questions

What is the IUPAC name of 9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene-9,10-diol?
The IUPAC name of 9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene-9,10-diol (CID 159047940) is 9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene-9,10-diol.
What is the SMILES notation for 9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene-9,10-diol?
The canonical SMILES for 9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene-9,10-diol is OC1(c2ccc3ccccc3c2)c2ccccc2C(O)(c2ccc3ccccc3c2)c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)c3ccccc23)cc1.
What is the InChIKey of 9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene-9,10-diol?
The InChIKey is JWWUOJYEGFEBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40O2.C60H38/c61-59(47-33-30-39-14-4-6-18-44(39)36-47)53-24-12-13-25-54(53)60(62,48-34-31-40-15-5-7-19-45(40)37-48)56-38-46(32-35-55(56)59)41-26-28-43(29-27-41)58-51-22-10-8-20-49(51)57(42-16-2-1-3-17-42)50-21-9-11-23-52(50)58;1-2-16-42(17-3-1)57-49-20-8-10-22-51(49)58(52-23-11-9-21-50(52)57)43-30-26-41(27-31-43)46-34-35-55-56(38-46)60(48-33-29-40-15-5-7-19-45(40)37-48)54-25-13-12-24-53(54)59(55)47-32-28-39-14-4-6-18-44(39)36-47/h1-38,61-62H;1-38H.
What are the key properties of 9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene-9,10-diol?
9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene-9,10-diol has a molecular weight of 1551.94 g/mol, XLogP of 31.12, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene-9,10-diol is sourced from PubChem (CID 159047940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).