5-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-1,2-dihydropyridine

C51H35N — CID 144687175

IUPAC5-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-1,2-dihydropyridine
SMILESC1=CC(c2ccc3c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c3c2)=CNC1
InChIInChI=1S/C51H35N/c1-3-10-40-30-42(25-19-34(40)8-1)36-15-21-38(22-16-36)50-46-13-5-6-14-47(46)51(49-32-44(27-28-48(49)50)45-12-7-29-52-33-45)39-23-17-37(18-24-39)43-26-20-35-9-2-4-11-41(35)31-43/h1-28,30-33,52H,29H2
InChIKeyPYBNBKSZSPPYJJ-UHFFFAOYSA-N
MW661.85 g/mol
LogP13.47
Rot. Bonds5

About 5-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-1,2-dihydropyridine

5-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-1,2-dihydropyridine (PubChem CID 144687175) has the molecular formula C51H35N and a molecular weight of 661.85 g/mol. Its IUPAC name is 5-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-1,2-dihydropyridine.

Molecular Properties

Compound Name5-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-1,2-dihydropyridine
PubChem CID144687175
Molecular FormulaC51H35N
Molecular Weight661.85 g/mol
Exact Mass661.28
IUPAC Name5-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-1,2-dihydropyridine
SMILESC1=CC(c2ccc3c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c3c2)=CNC1
InChIInChI=1S/C51H35N/c1-3-10-40-30-42(25-19-34(40)8-1)36-15-21-38(22-16-36)50-46-13-5-6-14-47(46)51(49-32-44(27-28-48(49)50)45-12-7-29-52-33-45)39-23-17-37(18-24-39)43-26-20-35-9-2-4-11-41(35)31-43/h1-28,30-33,52H,29H2
InChIKeyPYBNBKSZSPPYJJ-UHFFFAOYSA-N
XLogP13.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.85
LogP ≤ 513.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
6-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3-(1,2-dihydropyridin-5-yl)-3-methyl-2H-pyridine;methane;bis(vanadium)
CID 144687190
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396

Frequently Asked Questions

What is the IUPAC name of 5-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-1,2-dihydropyridine?
The IUPAC name of 5-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-1,2-dihydropyridine (CID 144687175) is 5-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-1,2-dihydropyridine.
What is the SMILES notation for 5-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-1,2-dihydropyridine?
The canonical SMILES for 5-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-1,2-dihydropyridine is C1=CC(c2ccc3c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c3c2)=CNC1.
What is the InChIKey of 5-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-1,2-dihydropyridine?
The InChIKey is PYBNBKSZSPPYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N/c1-3-10-40-30-42(25-19-34(40)8-1)36-15-21-38(22-16-36)50-46-13-5-6-14-47(46)51(49-32-44(27-28-48(49)50)45-12-7-29-52-33-45)39-23-17-37(18-24-39)43-26-20-35-9-2-4-11-41(35)31-43/h1-28,30-33,52H,29H2.
What are the key properties of 5-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-1,2-dihydropyridine?
5-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-1,2-dihydropyridine has a molecular weight of 661.85 g/mol, XLogP of 13.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-1,2-dihydropyridine is sourced from PubChem (CID 144687175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).