2-methyl-4-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine

C42H30N2 — CID 122642632

IUPAC2-methyl-4-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine
SMILESCc1cc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cnccc5C)c5ccccc45)c4ccccc34)cc2)ccn1
InChIInChI=1S/C42H30N2/c1-27-21-23-43-26-40(27)34-19-20-39(33-10-4-3-9-32(33)34)42-37-13-7-5-11-35(37)41(36-12-6-8-14-38(36)42)30-17-15-29(16-18-30)31-22-24-44-28(2)25-31/h3-26H,1-2H3
InChIKeyUNPJHVNVHUZYTD-UHFFFAOYSA-N
MW562.72 g/mol
LogP11.22
Rot. Bonds4

About 2-methyl-4-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine

2-methyl-4-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine (PubChem CID 122642632) has the molecular formula C42H30N2 and a molecular weight of 562.72 g/mol. Its IUPAC name is 2-methyl-4-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-methyl-4-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine
PubChem CID122642632
Molecular FormulaC42H30N2
Molecular Weight562.72 g/mol
Exact Mass562.24
IUPAC Name2-methyl-4-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine
SMILESCc1cc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cnccc5C)c5ccccc45)c4ccccc34)cc2)ccn1
InChIInChI=1S/C42H30N2/c1-27-21-23-43-26-40(27)34-19-20-39(33-10-4-3-9-32(33)34)42-37-13-7-5-11-35(37)41(36-12-6-8-14-38(36)42)30-17-15-29(16-18-30)31-22-24-44-28(2)25-31/h3-26H,1-2H3
InChIKeyUNPJHVNVHUZYTD-UHFFFAOYSA-N
XLogP11.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 511.22
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine?
The IUPAC name of 2-methyl-4-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine (CID 122642632) is 2-methyl-4-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine.
What is the SMILES notation for 2-methyl-4-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine?
The canonical SMILES for 2-methyl-4-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine is Cc1cc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cnccc5C)c5ccccc45)c4ccccc34)cc2)ccn1.
What is the InChIKey of 2-methyl-4-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine?
The InChIKey is UNPJHVNVHUZYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2/c1-27-21-23-43-26-40(27)34-19-20-39(33-10-4-3-9-32(33)34)42-37-13-7-5-11-35(37)41(36-12-6-8-14-38(36)42)30-17-15-29(16-18-30)31-22-24-44-28(2)25-31/h3-26H,1-2H3.
What are the key properties of 2-methyl-4-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine?
2-methyl-4-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine has a molecular weight of 562.72 g/mol, XLogP of 11.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine is sourced from PubChem (CID 122642632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).