5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine

C41H28N2 — CID 88554768

IUPAC5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine
SMILESCc1ccc2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc(-c6cccnc6)nc5)c4)c4ccccc34)cc2c1
InChIInChI=1S/C41H28N2/c1-27-15-16-28-17-18-31(24-34(28)22-27)41-37-13-4-2-11-35(37)40(36-12-3-5-14-38(36)41)30-9-6-8-29(23-30)32-19-20-39(43-26-32)33-10-7-21-42-25-33/h2-26H,1H3
InChIKeyQCODNPQVODKBCB-UHFFFAOYSA-N
MW548.69 g/mol
LogP10.91
Rot. Bonds4

About 5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine

5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine (PubChem CID 88554768) has the molecular formula C41H28N2 and a molecular weight of 548.69 g/mol. Its IUPAC name is 5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine.

Molecular Properties

Compound Name5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine
PubChem CID88554768
Molecular FormulaC41H28N2
Molecular Weight548.69 g/mol
Exact Mass548.23
IUPAC Name5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine
SMILESCc1ccc2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc(-c6cccnc6)nc5)c4)c4ccccc34)cc2c1
InChIInChI=1S/C41H28N2/c1-27-15-16-28-17-18-31(24-34(28)22-27)41-37-13-4-2-11-35(37)40(36-12-3-5-14-38(36)41)30-9-6-8-29(23-30)32-19-20-39(43-26-32)33-10-7-21-42-25-33/h2-26H,1H3
InChIKeyQCODNPQVODKBCB-UHFFFAOYSA-N
XLogP10.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 510.91
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-(5-methyl-2-pyridinyl)-5-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 88554329
3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine
CID 88554456
3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
CID 88552191
2-(5-methyl-3-pyridinyl)-5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyridine
CID 88554552
5-(10-naphthalen-2-ylanthracen-9-yl)-2-[3-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]phenyl]pyridine
CID 174903865
[4-[7-(6-pyridin-3-yl-3-pyridinyl)naphthalen-2-yl]phenyl]phosphane
CID 170290663
9,10-bis(7-methylnaphthalen-2-yl)anthracene
CID 140856010
3-[4-[7-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
CID 88554561
3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine
CID 88554356
2-(5-methyl-2-pyridinyl)-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 88554691
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine
CID 90361500

Frequently Asked Questions

What is the IUPAC name of 5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine?
The IUPAC name of 5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine (CID 88554768) is 5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine.
What is the SMILES notation for 5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine?
The canonical SMILES for 5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine is Cc1ccc2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc(-c6cccnc6)nc5)c4)c4ccccc34)cc2c1.
What is the InChIKey of 5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine?
The InChIKey is QCODNPQVODKBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2/c1-27-15-16-28-17-18-31(24-34(28)22-27)41-37-13-4-2-11-35(37)40(36-12-3-5-14-38(36)41)30-9-6-8-29(23-30)32-19-20-39(43-26-32)33-10-7-21-42-25-33/h2-26H,1H3.
What are the key properties of 5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine?
5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine has a molecular weight of 548.69 g/mol, XLogP of 10.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine is sourced from PubChem (CID 88554768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).