6-(4-tert-butylphenyl)-4-[10-[6-(4-tert-butylphenyl)-2-phenyl-3-(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2-phenyl-3-(trifluoromethyl)pyridine

C58H46F6N2 — CID 141254771

IUPAC6-(4-tert-butylphenyl)-4-[10-[6-(4-tert-butylphenyl)-2-phenyl-3-(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2-phenyl-3-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(-c2cc(-c3c4ccccc4c(-c4cc(-c5ccc(C(C)(C)C)cc5)nc(-c5ccccc5)c4C(F)(F)F)c4ccccc34)c(C(F)(F)F)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H46F6N2/c1-55(2,3)39-29-25-35(26-30-39)47-33-45(51(57(59,60)61)53(65-47)37-17-9-7-10-18-37)49-41-21-13-15-23-43(41)50(44-24-16-14-22-42(44)49)46-34-48(36-27-31-40(32-28-36)56(4,5)6)66-54(52(46)58(62,63)64)38-19-11-8-12-20-38/h7-34H,1-6H3
InChIKeyCTLLVAAXRUESCF-UHFFFAOYSA-N
MW885.01 g/mol
LogP17.42
Rot. Bonds6

About 6-(4-tert-butylphenyl)-4-[10-[6-(4-tert-butylphenyl)-2-phenyl-3-(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2-phenyl-3-(trifluoromethyl)pyridine

6-(4-tert-butylphenyl)-4-[10-[6-(4-tert-butylphenyl)-2-phenyl-3-(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2-phenyl-3-(trifluoromethyl)pyridine (PubChem CID 141254771) has the molecular formula C58H46F6N2 and a molecular weight of 885.01 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-4-[10-[6-(4-tert-butylphenyl)-2-phenyl-3-(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2-phenyl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-4-[10-[6-(4-tert-butylphenyl)-2-phenyl-3-(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2-phenyl-3-(trifluoromethyl)pyridine
PubChem CID141254771
Molecular FormulaC58H46F6N2
Molecular Weight885.01 g/mol
Exact Mass884.36
IUPAC Name6-(4-tert-butylphenyl)-4-[10-[6-(4-tert-butylphenyl)-2-phenyl-3-(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2-phenyl-3-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(-c2cc(-c3c4ccccc4c(-c4cc(-c5ccc(C(C)(C)C)cc5)nc(-c5ccccc5)c4C(F)(F)F)c4ccccc34)c(C(F)(F)F)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H46F6N2/c1-55(2,3)39-29-25-35(26-30-39)47-33-45(51(57(59,60)61)53(65-47)37-17-9-7-10-18-37)49-41-21-13-15-23-43(41)50(44-24-16-14-22-42(44)49)46-34-48(36-27-31-40(32-28-36)56(4,5)6)66-54(52(46)58(62,63)64)38-19-11-8-12-20-38/h7-34H,1-6H3
InChIKeyCTLLVAAXRUESCF-UHFFFAOYSA-N
XLogP17.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.01
LogP ≤ 517.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(4-tert-butylphenyl)-4-[10-[6-(4-tert-butylphenyl)-2-phenyl-3-(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2-phenyl-3-(trifluoromethyl)pyridine with MolForge

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Related Compounds

3-[4-[2-tert-butyl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-2,6-diphenylpyridine
CID 118901587
4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 132609554
4-(4-tert-butylphenyl)-6-[4-[4-(4-tert-butylphenyl)-5-cyano-6-phenyl-2-pyridinyl]phenyl]-2-phenylpyridine-3-carbonitrile
CID 66676027
2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline
CID 177454464
4,7-bis(4-tert-butylphenyl)-2,9-bis(4-phenylphenyl)-1,10-phenanthroline
CID 70909450
9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
CID 59592442
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 59274673
2-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-4,6-diphenylpyridine
CID 121315369
2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine
CID 59806456
3,4-diphenyl-6-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]isoquinoline
CID 138974613
1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930
1-[3,4-bis[4-(trifluoromethyl)phenyl]isoquinolin-1-yl]-3,4-bis[4-(trifluoromethyl)phenyl]isoquinoline
CID 169227849

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-4-[10-[6-(4-tert-butylphenyl)-2-phenyl-3-(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2-phenyl-3-(trifluoromethyl)pyridine?
The IUPAC name of 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) is 6-(4-tert-butylphenyl)-4-[10-[6-(4-tert-butylphenyl)-2-phenyl-3-(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2-phenyl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-(4-tert-butylphenyl)-4-[10-[6-(4-tert-butylphenyl)-2-phenyl-3-(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2-phenyl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 6-(4-tert-butylphenyl)-4-[10-[6-(4-tert-butylphenyl)-2-phenyl-3-(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2-phenyl-3-(trifluoromethyl)pyridine is CC(C)(C)c1ccc(-c2cc(-c3c4ccccc4c(-c4cc(-c5ccc(C(C)(C)C)cc5)nc(-c5ccccc5)c4C(F)(F)F)c4ccccc34)c(C(F)(F)F)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-(4-tert-butylphenyl)-4-[10-[6-(4-tert-butylphenyl)-2-phenyl-3-(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2-phenyl-3-(trifluoromethyl)pyridine?
The InChIKey is CTLLVAAXRUESCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46F6N2/c1-55(2,3)39-29-25-35(26-30-39)47-33-45(51(57(59,60)61)53(65-47)37-17-9-7-10-18-37)49-41-21-13-15-23-43(41)50(44-24-16-14-22-42(44)49)46-34-48(36-27-31-40(32-28-36)56(4,5)6)66-54(52(46)58(62,63)64)38-19-11-8-12-20-38/h7-34H,1-6H3.
What are the key properties of 6-(4-tert-butylphenyl)-4-[10-[6-(4-tert-butylphenyl)-2-phenyl-3-(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2-phenyl-3-(trifluoromethyl)pyridine?
6-(4-tert-butylphenyl)-4-[10-[6-(4-tert-butylphenyl)-2-phenyl-3-(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2-phenyl-3-(trifluoromethyl)pyridine has a molecular weight of 885.01 g/mol, XLogP of 17.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-4-[10-[6-(4-tert-butylphenyl)-2-phenyl-3-(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2-phenyl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 141254771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).