2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene

C60H38 — CID 58322858

IUPAC2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)c3ccc(-c4ccc5ccccc5c4)cc23)c1
InChIInChI=1S/C60H38/c1-2-16-41-34-42(31-30-39(41)14-1)43-32-33-56-58(37-43)60(48-22-11-19-44(35-48)50-29-13-18-40-15-3-5-23-49(40)50)55-28-10-9-27-54(55)59(56)47-21-12-20-45(36-47)57-38-46-17-4-6-24-51(46)52-25-7-8-26-53(52)57/h1-38H
InChIKeyHXDNWRMPCOSTKJ-UHFFFAOYSA-N
MW758.96 g/mol
LogP16.94
Rot. Bonds5

About 2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene

2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene (PubChem CID 58322858) has the molecular formula C60H38 and a molecular weight of 758.96 g/mol. Its IUPAC name is 2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene.

Molecular Properties

Compound Name2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
PubChem CID58322858
Molecular FormulaC60H38
Molecular Weight758.96 g/mol
Exact Mass758.30
IUPAC Name2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)c3ccc(-c4ccc5ccccc5c4)cc23)c1
InChIInChI=1S/C60H38/c1-2-16-41-34-42(31-30-39(41)14-1)43-32-33-56-58(37-43)60(48-22-11-19-44(35-48)50-29-13-18-40-15-3-5-23-49(40)50)55-28-10-9-27-54(55)59(56)47-21-12-20-45(36-47)57-38-46-17-4-6-24-51(46)52-25-7-8-26-53(52)57/h1-38H
InChIKeyHXDNWRMPCOSTKJ-UHFFFAOYSA-N
XLogP16.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.96
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322677
2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58323030
2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 58322960
2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58322767
2,9-dinaphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(3,5-dinaphthalen-1-ylphenyl)-2,10-dinaphthalen-2-ylanthracene
CID 158522790
2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322853
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene
CID 143986124
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(3-phenylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene;10-(3,5-diphenylphenyl)-2,9-dinaphthalen-1-ylanthracene;2-naphthalen-1-yl-9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;2-naphthalen-1-yl-9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene
CID 167589302
9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene
CID 58194379
9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenanthren-9-ylphenyl)anthracene;bis(9-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene);bis(9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene)
CID 160861379

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene?
The IUPAC name of 2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene (CID 58322858) is 2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene.
What is the SMILES notation for 2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene?
The canonical SMILES for 2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene is c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)c3ccc(-c4ccc5ccccc5c4)cc23)c1.
What is the InChIKey of 2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene?
The InChIKey is HXDNWRMPCOSTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38/c1-2-16-41-34-42(31-30-39(41)14-1)43-32-33-56-58(37-43)60(48-22-11-19-44(35-48)50-29-13-18-40-15-3-5-23-49(40)50)55-28-10-9-27-54(55)59(56)47-21-12-20-45(36-47)57-38-46-17-4-6-24-51(46)52-25-7-8-26-53(52)57/h1-38H.
What are the key properties of 2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene?
2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene has a molecular weight of 758.96 g/mol, XLogP of 16.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene is sourced from PubChem (CID 58322858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).