3-[4-[2-tert-butyl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-2,6-diphenylpyridine

C57H43N — CID 118901587

IUPAC3-[4-[2-tert-butyl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-2,6-diphenylpyridine
SMILESCC(C)(C)c1ccc2c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc3c(-c3ccc(-c4ccc(-c5ccccc5)nc4-c4ccccc4)cc3)c2c1
InChIInChI=1S/C57H43N/c1-57(2,3)43-31-32-51-52(37-43)54(41-29-27-39(28-30-41)45-35-36-53(40-19-9-5-10-20-40)58-56(45)42-21-11-6-12-22-42)48-25-15-16-26-49(48)55(51)50-34-33-44(38-17-7-4-8-18-38)46-23-13-14-24-47(46)50/h4-37H,1-3H3
InChIKeyOKRUUPJQBBTWNM-UHFFFAOYSA-N
MW741.98 g/mol
LogP15.84
Rot. Bonds6

About 3-[4-[2-tert-butyl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-2,6-diphenylpyridine

3-[4-[2-tert-butyl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-2,6-diphenylpyridine (PubChem CID 118901587) has the molecular formula C57H43N and a molecular weight of 741.98 g/mol. Its IUPAC name is 3-[4-[2-tert-butyl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name3-[4-[2-tert-butyl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-2,6-diphenylpyridine
PubChem CID118901587
Molecular FormulaC57H43N
Molecular Weight741.98 g/mol
Exact Mass741.34
IUPAC Name3-[4-[2-tert-butyl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-2,6-diphenylpyridine
SMILESCC(C)(C)c1ccc2c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc3c(-c3ccc(-c4ccc(-c5ccccc5)nc4-c4ccccc4)cc3)c2c1
InChIInChI=1S/C57H43N/c1-57(2,3)43-31-32-51-52(37-43)54(41-29-27-39(28-30-41)45-35-36-53(40-19-9-5-10-20-40)58-56(45)42-21-11-6-12-22-42)48-25-15-16-26-49(48)55(51)50-34-33-44(38-17-7-4-8-18-38)46-23-13-14-24-47(46)50/h4-37H,1-3H3
InChIKeyOKRUUPJQBBTWNM-UHFFFAOYSA-N
XLogP15.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.98
LogP ≤ 515.84
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

2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140869785
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806
1-(3-tert-butyl-10-phenylanthracen-9-yl)pyrene
CID 140869475
2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58830813
6-(4-tert-butylphenyl)-4-[10-[6-(4-tert-butylphenyl)-2-phenyl-3-(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2-phenyl-3-(trifluoromethyl)pyridine
CID 141254771
9-tert-butyl-3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene
CID 58390207
2,8-ditert-butyl-6,12-bis(4-methylphenyl)-5,11-diphenyltetracene
CID 162426507
4-(3-tert-butyl-10-phenylanthracen-9-yl)-7-methylbenzo[a]anthracene
CID 123739024
2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-4,6-diphenylpyridine
CID 59722087
2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 158638548
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809
4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 58568828

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-tert-butyl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-2,6-diphenylpyridine?
The IUPAC name of 3-[4-[2-tert-butyl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-2,6-diphenylpyridine (CID 118901587) is 3-[4-[2-tert-butyl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-2,6-diphenylpyridine.
What is the SMILES notation for 3-[4-[2-tert-butyl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-2,6-diphenylpyridine?
The canonical SMILES for 3-[4-[2-tert-butyl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-2,6-diphenylpyridine is CC(C)(C)c1ccc2c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc3c(-c3ccc(-c4ccc(-c5ccccc5)nc4-c4ccccc4)cc3)c2c1.
What is the InChIKey of 3-[4-[2-tert-butyl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-2,6-diphenylpyridine?
The InChIKey is OKRUUPJQBBTWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N/c1-57(2,3)43-31-32-51-52(37-43)54(41-29-27-39(28-30-41)45-35-36-53(40-19-9-5-10-20-40)58-56(45)42-21-11-6-12-22-42)48-25-15-16-26-49(48)55(51)50-34-33-44(38-17-7-4-8-18-38)46-23-13-14-24-47(46)50/h4-37H,1-3H3.
What are the key properties of 3-[4-[2-tert-butyl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-2,6-diphenylpyridine?
3-[4-[2-tert-butyl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-2,6-diphenylpyridine has a molecular weight of 741.98 g/mol, XLogP of 15.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-tert-butyl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 118901587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).