2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine

C45H30N2 — CID 88551893

IUPAC2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine
SMILESCc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccncc6)ccn5)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C45H30N2/c1-29-14-15-32-27-34(17-16-31(32)26-29)44-38-10-4-6-12-40(38)45(41-13-7-5-11-39(41)44)42-19-18-37(35-8-2-3-9-36(35)42)43-28-33(22-25-47-43)30-20-23-46-24-21-30/h2-28H,1H3
InChIKeyAUSOXNOEZJKLKT-UHFFFAOYSA-N
MW598.75 g/mol
LogP12.07
Rot. Bonds4

About 2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine

2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine (PubChem CID 88551893) has the molecular formula C45H30N2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine.

Molecular Properties

Compound Name2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine
PubChem CID88551893
Molecular FormulaC45H30N2
Molecular Weight598.75 g/mol
Exact Mass598.24
IUPAC Name2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine
SMILESCc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccncc6)ccn5)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C45H30N2/c1-29-14-15-32-27-34(17-16-31(32)26-29)44-38-10-4-6-12-40(38)45(41-13-7-5-11-39(41)44)42-19-18-37(35-8-2-3-9-36(35)42)43-28-33(22-25-47-43)30-20-23-46-24-21-30/h2-28H,1H3
InChIKeyAUSOXNOEZJKLKT-UHFFFAOYSA-N
XLogP12.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine with MolForge

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Related Compounds

2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
CID 88552190
4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
CID 88554433
3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
CID 88552191
5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine
CID 88551889
4-(6-methylnaphthalen-2-yl)-2-(2-methylphenyl)pyridine
CID 140825758
2-(4-methylnaphthalen-1-yl)pyridine;2-(6-methylnaphthalen-2-yl)pyridine;3-(4-methylnaphthalen-1-yl)pyridine;3-(6-methylnaphthalen-2-yl)pyridine;4-(4-methylnaphthalen-1-yl)pyridine;2-(3-methylphenyl)pyridine;2-(4-methylphenyl)pyridine;3-(3-methylphenyl)pyridine;3-(4-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
CID 161437395
4-[4-[5-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]pyridine
CID 88552091
4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 89001182
2-(2,4-dimethylphenyl)-4-phenylpyridine
CID 166502806
9-phenyl-10-[4-[6-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]phenyl]anthracene;9-phenyl-10-[4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene;9-phenyl-10-[4-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]phenyl]anthracene;9-phenyl-10-[4-[4-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 159018384
9,10-bis(7-methylnaphthalen-2-yl)anthracene
CID 140856010
2-naphthalen-1-yl-4-naphthalen-2-ylpyridine
CID 144888160

Frequently Asked Questions

What is the IUPAC name of 2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine?
The IUPAC name of 2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine (CID 88551893) is 2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine.
What is the SMILES notation for 2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine?
The canonical SMILES for 2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine is Cc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccncc6)ccn5)c5ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine?
The InChIKey is AUSOXNOEZJKLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2/c1-29-14-15-32-27-34(17-16-31(32)26-29)44-38-10-4-6-12-40(38)45(41-13-7-5-11-39(41)44)42-19-18-37(35-8-2-3-9-36(35)42)43-28-33(22-25-47-43)30-20-23-46-24-21-30/h2-28H,1H3.
What are the key properties of 2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine?
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine has a molecular weight of 598.75 g/mol, XLogP of 12.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine is sourced from PubChem (CID 88551893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).