1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridin-4-yl-2H-pyridine

C35H26N2 — CID 89145411

IUPAC1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridin-4-yl-2H-pyridine
SMILESCN1C=C(c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)C=CC1c1ccncc1
InChIInChI=1S/C35H26N2/c1-37-23-28(16-17-33(37)25-18-20-36-21-19-25)35-31-12-6-4-10-29(31)34(30-11-5-7-13-32(30)35)27-15-14-24-8-2-3-9-26(24)22-27/h2-23,33H,1H3
InChIKeyVJWOPLPYEPHELP-UHFFFAOYSA-N
MW474.61 g/mol
LogP8.79
Rot. Bonds3

About 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridin-4-yl-2H-pyridine

1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridin-4-yl-2H-pyridine (PubChem CID 89145411) has the molecular formula C35H26N2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridin-4-yl-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridin-4-yl-2H-pyridine
PubChem CID89145411
Molecular FormulaC35H26N2
Molecular Weight474.61 g/mol
Exact Mass474.21
IUPAC Name1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridin-4-yl-2H-pyridine
SMILESCN1C=C(c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)C=CC1c1ccncc1
InChIInChI=1S/C35H26N2/c1-37-23-28(16-17-33(37)25-18-20-36-21-19-25)35-31-12-6-4-10-29(31)34(30-11-5-7-13-32(30)35)27-15-14-24-8-2-3-9-26(24)22-27/h2-23,33H,1H3
InChIKeyVJWOPLPYEPHELP-UHFFFAOYSA-N
XLogP8.79
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 58.79
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

4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 89001182
2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene
CID 143250486
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
8-[10-(4a,8a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-5-phenylpyrido[4,3-b]indole
CID 130449633
3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine
CID 88551707
5-naphthalen-2-yl-10-[3-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183021
5-naphthalen-2-yl-10-(4-propan-2-ylphenyl)benzo[g]isoquinoline
CID 59183792
4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
CID 88554433
7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline
CID 59182917
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine
CID 88897339
10-(4-naphthalen-2-ylphenyl)-5-phenylbenzo[g]isoquinoline
CID 59183268

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridin-4-yl-2H-pyridine?
The IUPAC name of 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridin-4-yl-2H-pyridine (CID 89145411) is 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridin-4-yl-2H-pyridine.
What is the SMILES notation for 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridin-4-yl-2H-pyridine?
The canonical SMILES for 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridin-4-yl-2H-pyridine is CN1C=C(c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)C=CC1c1ccncc1.
What is the InChIKey of 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridin-4-yl-2H-pyridine?
The InChIKey is VJWOPLPYEPHELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2/c1-37-23-28(16-17-33(37)25-18-20-36-21-19-25)35-31-12-6-4-10-29(31)34(30-11-5-7-13-32(30)35)27-15-14-24-8-2-3-9-26(24)22-27/h2-23,33H,1H3.
What are the key properties of 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridin-4-yl-2H-pyridine?
1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridin-4-yl-2H-pyridine has a molecular weight of 474.61 g/mol, XLogP of 8.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridin-4-yl-2H-pyridine is sourced from PubChem (CID 89145411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).