2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine

C50H36N2 — CID 122642459

IUPAC2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
SMILESCc1ncccc1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccnc4C)cc3)c3cc(-c4cccc(-c5ccccc5)c4)ccc23)cc1
InChIInChI=1S/C50H36N2/c1-33-43(17-9-29-51-33)36-19-23-38(24-20-36)49-45-15-6-7-16-46(45)50(39-25-21-37(22-26-39)44-18-10-30-52-34(44)2)48-32-42(27-28-47(48)49)41-14-8-13-40(31-41)35-11-4-3-5-12-35/h3-32H,1-2H3
InChIKeyPXGOIDQCMMAYPB-UHFFFAOYSA-N
MW664.85 g/mol
LogP13.40
Rot. Bonds6

About 2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine

2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine (PubChem CID 122642459) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is 2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
PubChem CID122642459
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC Name2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
SMILESCc1ncccc1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccnc4C)cc3)c3cc(-c4cccc(-c5ccccc5)c4)ccc23)cc1
InChIInChI=1S/C50H36N2/c1-33-43(17-9-29-51-33)36-19-23-38(24-20-36)49-45-15-6-7-16-46(45)50(39-25-21-37(22-26-39)44-18-10-30-52-34(44)2)48-32-42(27-28-47(48)49)41-14-8-13-40(31-41)35-11-4-3-5-12-35/h3-32H,1-2H3
InChIKeyPXGOIDQCMMAYPB-UHFFFAOYSA-N
XLogP13.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine
CID 90361636
2-methyl-3-(4-phenylphenyl)pyridine
CID 90167639
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine
CID 90361392
2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene
CID 58875734
2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine
CID 90361660
2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
CID 158302450
2-methyl-3-[4-[10-(4-pyridin-4-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
CID 122642646
6-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]benzo[f]quinoline
CID 58323749
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
3-(9,10-diphenylanthracen-2-yl)pyridin-2-amine
CID 146355812
9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline
CID 89342073

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine?
The IUPAC name of 2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine (CID 122642459) is 2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine.
What is the SMILES notation for 2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine?
The canonical SMILES for 2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine is Cc1ncccc1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccnc4C)cc3)c3cc(-c4cccc(-c5ccccc5)c4)ccc23)cc1.
What is the InChIKey of 2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine?
The InChIKey is PXGOIDQCMMAYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c1-33-43(17-9-29-51-33)36-19-23-38(24-20-36)49-45-15-6-7-16-46(45)50(39-25-21-37(22-26-39)44-18-10-30-52-34(44)2)48-32-42(27-28-47(48)49)41-14-8-13-40(31-41)35-11-4-3-5-12-35/h3-32H,1-2H3.
What are the key properties of 2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine?
2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine has a molecular weight of 664.85 g/mol, XLogP of 13.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine is sourced from PubChem (CID 122642459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).