9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene

C54H36 — CID 123814094

IUPAC9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
SMILESc1ccc(-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5cc(-c6ccc(-c7ccccc7)cc6)ccc5c(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C54H36/c1-4-12-37(13-5-1)40-20-24-42(25-21-40)46-31-33-50-51(35-46)53(44-17-8-3-9-18-44)49-32-30-47(43-26-22-41(23-27-43)38-14-6-2-7-15-38)36-52(49)54(50)48-29-28-39-16-10-11-19-45(39)34-48/h1-36H
InChIKeyPEGXKMDJSARLHS-UHFFFAOYSA-N
MW684.88 g/mol
LogP15.15
Rot. Bonds6

About 9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene

9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene (PubChem CID 123814094) has the molecular formula C54H36 and a molecular weight of 684.88 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
PubChem CID123814094
Molecular FormulaC54H36
Molecular Weight684.88 g/mol
Exact Mass684.28
IUPAC Name9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
SMILESc1ccc(-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5cc(-c6ccc(-c7ccccc7)cc6)ccc5c(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C54H36/c1-4-12-37(13-5-1)40-20-24-42(25-21-40)46-31-33-50-51(35-46)53(44-17-8-3-9-18-44)49-32-30-47(43-26-22-41(23-27-43)38-14-6-2-7-15-38)36-52(49)54(50)48-29-28-39-16-10-11-19-45(39)34-48/h1-36H
InChIKeyPEGXKMDJSARLHS-UHFFFAOYSA-N
XLogP15.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.88
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
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
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
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene?
The IUPAC name of 9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene (CID 123814094) is 9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene.
What is the SMILES notation for 9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene?
The canonical SMILES for 9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene is c1ccc(-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5cc(-c6ccc(-c7ccccc7)cc6)ccc5c(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of 9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene?
The InChIKey is PEGXKMDJSARLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36/c1-4-12-37(13-5-1)40-20-24-42(25-21-40)46-31-33-50-51(35-46)53(44-17-8-3-9-18-44)49-32-30-47(43-26-22-41(23-27-43)38-14-6-2-7-15-38)36-52(49)54(50)48-29-28-39-16-10-11-19-45(39)34-48/h1-36H.
What are the key properties of 9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene?
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene has a molecular weight of 684.88 g/mol, XLogP of 15.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene is sourced from PubChem (CID 123814094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).