3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine

C40H26N2 — CID 118564006

IUPAC3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
SMILESc1cncc(-c2ccc(-c3c4ccccc4c(-c4cc(-c5cccnc5)cc5ccccc45)c4ccccc34)cc2)c1
InChIInChI=1S/C40H26N2/c1-2-12-33-29(9-1)23-32(31-11-8-22-42-26-31)24-38(33)40-36-15-5-3-13-34(36)39(35-14-4-6-16-37(35)40)28-19-17-27(18-20-28)30-10-7-21-41-25-30/h1-26H
InChIKeyOKMUUTZXCYEKFQ-UHFFFAOYSA-N
MW534.66 g/mol
LogP10.60
Rot. Bonds4

About 3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine

3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine (PubChem CID 118564006) has the molecular formula C40H26N2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
PubChem CID118564006
Molecular FormulaC40H26N2
Molecular Weight534.66 g/mol
Exact Mass534.21
IUPAC Name3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
SMILESc1cncc(-c2ccc(-c3c4ccccc4c(-c4cc(-c5cccnc5)cc5ccccc45)c4ccccc34)cc2)c1
InChIInChI=1S/C40H26N2/c1-2-12-33-29(9-1)23-32(31-11-8-22-42-26-31)24-38(33)40-36-15-5-3-13-34(36)39(35-14-4-6-16-37(35)40)28-19-17-27(18-20-28)30-10-7-21-41-25-30/h1-26H
InChIKeyOKMUUTZXCYEKFQ-UHFFFAOYSA-N
XLogP10.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-diphenyl-6-[3-(4-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 118952098
2-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]-6-pyridin-3-ylpyridine
CID 118563958
9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene
CID 123234809
3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
CID 90361582
3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine
CID 88551707
3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
CID 58963342
2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168264
2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine
CID 90361500
9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123968907
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
CID 171440364
5-methyl-2-[4-(4-pyridin-3-ylphenyl)naphthalen-2-yl]benzo[b]phosphindole 5-oxide
CID 176638570

Frequently Asked Questions

What is the IUPAC name of 3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine?
The IUPAC name of 3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine (CID 118564006) is 3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine?
The canonical SMILES for 3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine is c1cncc(-c2ccc(-c3c4ccccc4c(-c4cc(-c5cccnc5)cc5ccccc45)c4ccccc34)cc2)c1.
What is the InChIKey of 3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine?
The InChIKey is OKMUUTZXCYEKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2/c1-2-12-33-29(9-1)23-32(31-11-8-22-42-26-31)24-38(33)40-36-15-5-3-13-34(36)39(35-14-4-6-16-37(35)40)28-19-17-27(18-20-28)30-10-7-21-41-25-30/h1-26H.
What are the key properties of 3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine?
3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine has a molecular weight of 534.66 g/mol, XLogP of 10.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine is sourced from PubChem (CID 118564006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).