2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene

C62H46 — CID 23154901

IUPAC2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
SMILESCC(C)(C)c1ccc(-c2ccccc2-c2ccc3c(-c4cccc(-c5ccc6ccccc6c5)c4)c4ccccc4c(-c4cccc(-c5ccc6ccccc6c5)c4)c3c2)cc1
InChIInChI=1S/C62H46/c1-62(2,3)53-33-30-43(31-34-53)54-22-8-9-23-55(54)50-32-35-58-59(40-50)61(52-21-13-19-47(39-52)49-29-27-42-15-5-7-17-45(42)37-49)57-25-11-10-24-56(57)60(58)51-20-12-18-46(38-51)48-28-26-41-14-4-6-16-44(41)36-48/h4-40H,1-3H3
InChIKeyQLWJQKGQDKTPMH-UHFFFAOYSA-N
MW791.05 g/mol
LogP17.60
Rot. Bonds6

About 2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene

2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene (PubChem CID 23154901) has the molecular formula C62H46 and a molecular weight of 791.05 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
PubChem CID23154901
Molecular FormulaC62H46
Molecular Weight791.05 g/mol
Exact Mass790.36
IUPAC Name2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
SMILESCC(C)(C)c1ccc(-c2ccccc2-c2ccc3c(-c4cccc(-c5ccc6ccccc6c5)c4)c4ccccc4c(-c4cccc(-c5ccc6ccccc6c5)c4)c3c2)cc1
InChIInChI=1S/C62H46/c1-62(2,3)53-33-30-43(31-34-53)54-22-8-9-23-55(54)50-32-35-58-59(40-50)61(52-21-13-19-47(39-52)49-29-27-42-15-5-7-17-45(42)37-49)57-25-11-10-24-56(57)60(58)51-20-12-18-46(38-51)48-28-26-41-14-4-6-16-44(41)36-48/h4-40H,1-3H3
InChIKeyQLWJQKGQDKTPMH-UHFFFAOYSA-N
XLogP17.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.05
LogP ≤ 517.60
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-tert-butyl-9-naphthalen-2-yl-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 58965769
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-tert-butyl-9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-(2-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;9-(3,4-diphenylphenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;10-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene;9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 157283651
2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene
CID 59342691
9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 58590190
9,10-bis(3,5-diphenylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-diphenyl-2-(2-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(4-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracene
CID 158006720
9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 144837312
2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58830813
9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 144568902
2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322858

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene (CID 23154901) is 2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene is CC(C)(C)c1ccc(-c2ccccc2-c2ccc3c(-c4cccc(-c5ccc6ccccc6c5)c4)c4ccccc4c(-c4cccc(-c5ccc6ccccc6c5)c4)c3c2)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene?
The InChIKey is QLWJQKGQDKTPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46/c1-62(2,3)53-33-30-43(31-34-53)54-22-8-9-23-55(54)50-32-35-58-59(40-50)61(52-21-13-19-47(39-52)49-29-27-42-15-5-7-17-45(42)37-49)57-25-11-10-24-56(57)60(58)51-20-12-18-46(38-51)48-28-26-41-14-4-6-16-44(41)36-48/h4-40H,1-3H3.
What are the key properties of 2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene?
2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene has a molecular weight of 791.05 g/mol, XLogP of 17.60, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 23154901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).