2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-6-phenylpyridine

C46H31N — CID 59722048

IUPAC2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-6-phenylpyridine
SMILESCc1ccc2c(-c3ccc4ccccc4c3)c3cc(-c4cccc(-c5ccccc5)n4)ccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C46H31N/c1-30-18-24-39-41(26-30)45(37-21-19-31-10-5-7-14-34(31)27-37)40-25-23-36(44-17-9-16-43(47-44)33-12-3-2-4-13-33)29-42(40)46(39)38-22-20-32-11-6-8-15-35(32)28-38/h2-29H,1H3
InChIKeyBXJRCMNOJYCYHK-UHFFFAOYSA-N
MW597.76 g/mol
LogP12.67
Rot. Bonds4

About 2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-6-phenylpyridine

2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-6-phenylpyridine (PubChem CID 59722048) has the molecular formula C46H31N and a molecular weight of 597.76 g/mol. Its IUPAC name is 2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-6-phenylpyridine.

Molecular Properties

Compound Name2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-6-phenylpyridine
PubChem CID59722048
Molecular FormulaC46H31N
Molecular Weight597.76 g/mol
Exact Mass597.25
IUPAC Name2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-6-phenylpyridine
SMILESCc1ccc2c(-c3ccc4ccccc4c3)c3cc(-c4cccc(-c5ccccc5)n4)ccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C46H31N/c1-30-18-24-39-41(26-30)45(37-21-19-31-10-5-7-14-34(31)27-37)40-25-23-36(44-17-9-16-43(47-44)33-12-3-2-4-13-33)29-42(40)46(39)38-22-20-32-11-6-8-15-35(32)28-38/h2-29H,1H3
InChIKeyBXJRCMNOJYCYHK-UHFFFAOYSA-N
XLogP12.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.76
LogP ≤ 512.67
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-methyl-9,10-dinaphthalen-1-ylanthracen-2-yl)-6-phenylpyridine
CID 59722146
2-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286
2-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-4,6-diphenylpyridine
CID 91376653
4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine
CID 90361557
2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-naphthalen-2-yl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 165103178
2-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine
CID 58876057
2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58894893
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine
CID 90361387
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
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-(6-phenyl-2-pyridinyl)benzimidazole
CID 59010715

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-6-phenylpyridine?
The IUPAC name of 2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-6-phenylpyridine (CID 59722048) is 2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-6-phenylpyridine.
What is the SMILES notation for 2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-6-phenylpyridine?
The canonical SMILES for 2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-6-phenylpyridine is Cc1ccc2c(-c3ccc4ccccc4c3)c3cc(-c4cccc(-c5ccccc5)n4)ccc3c(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-6-phenylpyridine?
The InChIKey is BXJRCMNOJYCYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N/c1-30-18-24-39-41(26-30)45(37-21-19-31-10-5-7-14-34(31)27-37)40-25-23-36(44-17-9-16-43(47-44)33-12-3-2-4-13-33)29-42(40)46(39)38-22-20-32-11-6-8-15-35(32)28-38/h2-29H,1H3.
What are the key properties of 2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-6-phenylpyridine?
2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-6-phenylpyridine has a molecular weight of 597.76 g/mol, XLogP of 12.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-6-phenylpyridine is sourced from PubChem (CID 59722048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).