4-[1-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridin-2-ylpyridine

C40H26N2 — CID 134515108

IUPAC4-[1-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridin-2-ylpyridine
SMILESc1ccc(-c2c3ccccc3c(-c3c(-c4ccncc4-c4ccccn4)ccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C40H26N2/c1-2-13-28(14-3-1)38-31-16-6-8-18-33(31)40(34-19-9-7-17-32(34)38)39-29-15-5-4-12-27(29)21-22-35(39)30-23-25-41-26-36(30)37-20-10-11-24-42-37/h1-26H
InChIKeyWDISRCFUNFXERT-UHFFFAOYSA-N
MW534.66 g/mol
LogP10.60
Rot. Bonds4

About 4-[1-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridin-2-ylpyridine

4-[1-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridin-2-ylpyridine (PubChem CID 134515108) has the molecular formula C40H26N2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 4-[1-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[1-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridin-2-ylpyridine
PubChem CID134515108
Molecular FormulaC40H26N2
Molecular Weight534.66 g/mol
Exact Mass534.21
IUPAC Name4-[1-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridin-2-ylpyridine
SMILESc1ccc(-c2c3ccccc3c(-c3c(-c4ccncc4-c4ccccn4)ccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C40H26N2/c1-2-13-28(14-3-1)38-31-16-6-8-18-33(31)40(34-19-9-7-17-32(34)38)39-29-15-5-4-12-27(29)21-22-35(39)30-23-25-41-26-36(30)37-20-10-11-24-42-37/h1-26H
InChIKeyWDISRCFUNFXERT-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'}

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Related Compounds

2-pyridin-3-yl-5-[4-[10-(2-pyridin-2-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
CID 118563985
13-[4-(3-pyridin-2-yl-4-pyridinyl)phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 166056920
4-[2-[12-(1-pyridin-4-ylnaphthalen-2-yl)tetracen-5-yl]naphthalen-1-yl]pyridine;2-[2-[12-(2-pyridin-2-ylphenyl)tetracen-5-yl]phenyl]pyridine;3-[2-[12-(2-pyridin-3-ylphenyl)tetracen-5-yl]phenyl]pyridine;4-[2-[12-(2-pyridin-4-ylphenyl)tetracen-5-yl]phenyl]pyridine
CID 158170790
2-(10-phenylanthracen-9-yl)pyridine
CID 88943773
4-[2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]isoquinoline
CID 118314052
2-[4-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 58568854
5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183593
2-benzo[a]anthracen-7-ylpyridine
CID 154825161
2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 171732044
10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline
CID 59183169
10-(4-naphthalen-2-ylphenyl)-5-phenylbenzo[g]isoquinoline
CID 59183268
2-(1-pyridin-2-ylanthracen-2-yl)pyridine
CID 19367617

Frequently Asked Questions

What is the IUPAC name of 4-[1-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridin-2-ylpyridine?
The IUPAC name of 4-[1-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridin-2-ylpyridine (CID 134515108) is 4-[1-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridin-2-ylpyridine.
What is the SMILES notation for 4-[1-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridin-2-ylpyridine?
The canonical SMILES for 4-[1-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridin-2-ylpyridine is c1ccc(-c2c3ccccc3c(-c3c(-c4ccncc4-c4ccccn4)ccc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 4-[1-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridin-2-ylpyridine?
The InChIKey is WDISRCFUNFXERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2/c1-2-13-28(14-3-1)38-31-16-6-8-18-33(31)40(34-19-9-7-17-32(34)38)39-29-15-5-4-12-27(29)21-22-35(39)30-23-25-41-26-36(30)37-20-10-11-24-42-37/h1-26H.
What are the key properties of 4-[1-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridin-2-ylpyridine?
4-[1-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridin-2-ylpyridine 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 4-[1-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridin-2-ylpyridine is sourced from PubChem (CID 134515108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).