4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine

C39H31N — CID 88554710

IUPAC4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4ccc(-c5ccncc5)cc4c3)c3ccccc23)cc1
InChIInChI=1S/C39H31N/c1-39(2,3)32-18-16-28(17-19-32)37-33-8-4-6-10-35(33)38(36-11-7-5-9-34(36)37)30-15-13-26-12-14-29(24-31(26)25-30)27-20-22-40-23-21-27/h4-25H,1-3H3
InChIKeyNKSGVFIEFMZQCG-UHFFFAOYSA-N
MW513.68 g/mol
LogP10.84
Rot. Bonds3

About 4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine

4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine (PubChem CID 88554710) has the molecular formula C39H31N and a molecular weight of 513.68 g/mol. Its IUPAC name is 4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine.

Molecular Properties

Compound Name4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine
PubChem CID88554710
Molecular FormulaC39H31N
Molecular Weight513.68 g/mol
Exact Mass513.25
IUPAC Name4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4ccc(-c5ccncc5)cc4c3)c3ccccc23)cc1
InChIInChI=1S/C39H31N/c1-39(2,3)32-18-16-28(17-19-32)37-33-8-4-6-10-35(33)38(36-11-7-5-9-34(36)37)30-15-13-26-12-14-29(24-31(26)25-30)27-20-22-40-23-21-27/h4-25H,1-3H3
InChIKeyNKSGVFIEFMZQCG-UHFFFAOYSA-N
XLogP10.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.68
LogP ≤ 510.84
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

4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
CID 88554433
4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 58568828
9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 58590190
4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 89001182
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene
CID 59342691
9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
CID 59592442
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944
4-[10-[4-(4-chrysen-6-ylphenyl)phenyl]anthracen-9-yl]pyridine
CID 88868967

Frequently Asked Questions

What is the IUPAC name of 4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine?
The IUPAC name of 4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine (CID 88554710) is 4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine.
What is the SMILES notation for 4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine?
The canonical SMILES for 4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4ccc(-c5ccncc5)cc4c3)c3ccccc23)cc1.
What is the InChIKey of 4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine?
The InChIKey is NKSGVFIEFMZQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N/c1-39(2,3)32-18-16-28(17-19-32)37-33-8-4-6-10-35(33)38(36-11-7-5-9-34(36)37)30-15-13-26-12-14-29(24-31(26)25-30)27-20-22-40-23-21-27/h4-25H,1-3H3.
What are the key properties of 4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine?
4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine has a molecular weight of 513.68 g/mol, XLogP of 10.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine is sourced from PubChem (CID 88554710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).