9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene

C48H34O2 — CID 59002245

IUPAC9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene
SMILESCOc1ccc(-c2c3ccc(-c4cccc5ccccc45)cc3c(-c3ccc(OC)cc3)c3ccc(-c4ccc5ccccc5c4)cc23)cc1
InChIInChI=1S/C48H34O2/c1-49-39-22-16-33(17-23-39)47-44-27-21-38(42-13-7-11-32-9-5-6-12-41(32)42)30-46(44)48(34-18-24-40(50-2)25-19-34)43-26-20-37(29-45(43)47)36-15-14-31-8-3-4-10-35(31)28-36/h3-30H,1-2H3
InChIKeyADKSYZDLWLXXMK-UHFFFAOYSA-N
MW642.80 g/mol
LogP12.98
Rot. Bonds6

About 9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene

9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene (PubChem CID 59002245) has the molecular formula C48H34O2 and a molecular weight of 642.80 g/mol. Its IUPAC name is 9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene
PubChem CID59002245
Molecular FormulaC48H34O2
Molecular Weight642.80 g/mol
Exact Mass642.26
IUPAC Name9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene
SMILESCOc1ccc(-c2c3ccc(-c4cccc5ccccc45)cc3c(-c3ccc(OC)cc3)c3ccc(-c4ccc5ccccc5c4)cc23)cc1
InChIInChI=1S/C48H34O2/c1-49-39-22-16-33(17-23-39)47-44-27-21-38(42-13-7-11-32-9-5-6-12-41(32)42)30-46(44)48(34-18-24-40(50-2)25-19-34)43-26-20-37(29-45(43)47)36-15-14-31-8-3-4-10-35(31)28-36/h3-30H,1-2H3
InChIKeyADKSYZDLWLXXMK-UHFFFAOYSA-N
XLogP12.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.80
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenylanthracene
CID 59002248
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-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
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
9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
CID 25112576
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
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene
CID 58323614
10-(3-naphthalen-2-ylphenyl)-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene
CID 58323266

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene?
The IUPAC name of 9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene (CID 59002245) is 9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene.
What is the SMILES notation for 9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene?
The canonical SMILES for 9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene is COc1ccc(-c2c3ccc(-c4cccc5ccccc45)cc3c(-c3ccc(OC)cc3)c3ccc(-c4ccc5ccccc5c4)cc23)cc1.
What is the InChIKey of 9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene?
The InChIKey is ADKSYZDLWLXXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34O2/c1-49-39-22-16-33(17-23-39)47-44-27-21-38(42-13-7-11-32-9-5-6-12-41(32)42)30-46(44)48(34-18-24-40(50-2)25-19-34)43-26-20-37(29-45(43)47)36-15-14-31-8-3-4-10-35(31)28-36/h3-30H,1-2H3.
What are the key properties of 9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene?
9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene has a molecular weight of 642.80 g/mol, XLogP of 12.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene is sourced from PubChem (CID 59002245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).