2-(4-methoxyphenyl)-9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenylanthracene

C47H32O — CID 59002248

IUPAC2-(4-methoxyphenyl)-9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenylanthracene
SMILESCOc1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4cc(-c5ccccc5)ccc4c(-c4cccc5ccccc45)c3c2)cc1
InChIInChI=1S/C47H32O/c1-48-39-24-20-33(21-25-39)37-22-26-42-45(30-37)47(41-17-9-15-34-13-7-8-16-40(34)41)43-27-23-36(31-10-3-2-4-11-31)29-44(43)46(42)38-19-18-32-12-5-6-14-35(32)28-38/h2-30H,1H3
InChIKeyANIQMHIFIPPURZ-UHFFFAOYSA-N
MW612.77 g/mol
LogP12.98
Rot. Bonds5

About 2-(4-methoxyphenyl)-9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenylanthracene

2-(4-methoxyphenyl)-9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenylanthracene (PubChem CID 59002248) has the molecular formula C47H32O and a molecular weight of 612.77 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenylanthracene.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenylanthracene
PubChem CID59002248
Molecular FormulaC47H32O
Molecular Weight612.77 g/mol
Exact Mass612.25
IUPAC Name2-(4-methoxyphenyl)-9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenylanthracene
SMILESCOc1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4cc(-c5ccccc5)ccc4c(-c4cccc5ccccc45)c3c2)cc1
InChIInChI=1S/C47H32O/c1-48-39-24-20-33(21-25-39)37-22-26-42-45(30-37)47(41-17-9-15-34-13-7-8-16-40(34)41)43-27-23-36(31-10-3-2-4-11-31)29-44(43)46(42)38-19-18-32-12-5-6-14-35(32)28-38/h2-30H,1H3
InChIKeyANIQMHIFIPPURZ-UHFFFAOYSA-N
XLogP12.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.77
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 161337169
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene
CID 59002245
9-naphthalen-2-yl-10-phenanthren-2-yl-2,6-diphenylanthracene;9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-1-yl-9-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-2-yl-9-phenanthren-2-yl-2-phenylanthracene
CID 161355195
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-phenylanthracene;10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)-9-phenylanthracene
CID 157246826
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
CID 58193908
9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 159201170
2-[4-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58233412
9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 140856123
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenylanthracene?
The IUPAC name of 2-(4-methoxyphenyl)-9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenylanthracene (CID 59002248) is 2-(4-methoxyphenyl)-9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenylanthracene.
What is the SMILES notation for 2-(4-methoxyphenyl)-9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenylanthracene?
The canonical SMILES for 2-(4-methoxyphenyl)-9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenylanthracene is COc1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4cc(-c5ccccc5)ccc4c(-c4cccc5ccccc45)c3c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenylanthracene?
The InChIKey is ANIQMHIFIPPURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32O/c1-48-39-24-20-33(21-25-39)37-22-26-42-45(30-37)47(41-17-9-15-34-13-7-8-16-40(34)41)43-27-23-36(31-10-3-2-4-11-31)29-44(43)46(42)38-19-18-32-12-5-6-14-35(32)28-38/h2-30H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenylanthracene?
2-(4-methoxyphenyl)-9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenylanthracene has a molecular weight of 612.77 g/mol, XLogP of 12.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenylanthracene is sourced from PubChem (CID 59002248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).