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

C43H31N — CID 152919658

IUPAC5-methyl-2-[3-[10-[4-(4-methylphenyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine
SMILESCc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc(C)cn5)c4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C43H31N/c1-28-18-21-30(22-19-28)33-23-24-40(35-13-4-3-12-34(33)35)43-38-16-7-5-14-36(38)42(37-15-6-8-17-39(37)43)32-11-9-10-31(26-32)41-25-20-29(2)27-44-41/h3-27H,1-2H3
InChIKeyUIUYTRMCDXAVJH-UHFFFAOYSA-N
MW561.73 g/mol
LogP11.83
Rot. Bonds4

About 5-methyl-2-[3-[10-[4-(4-methylphenyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine

5-methyl-2-[3-[10-[4-(4-methylphenyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine (PubChem CID 152919658) has the molecular formula C43H31N and a molecular weight of 561.73 g/mol. Its IUPAC name is 5-methyl-2-[3-[10-[4-(4-methylphenyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine.

Molecular Properties

Compound Name5-methyl-2-[3-[10-[4-(4-methylphenyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine
PubChem CID152919658
Molecular FormulaC43H31N
Molecular Weight561.73 g/mol
Exact Mass561.25
IUPAC Name5-methyl-2-[3-[10-[4-(4-methylphenyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine
SMILESCc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc(C)cn5)c4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C43H31N/c1-28-18-21-30(22-19-28)33-23-24-40(35-13-4-3-12-34(33)35)43-38-16-7-5-14-36(38)42(37-15-6-8-17-39(37)43)32-11-9-10-31(26-32)41-25-20-29(2)27-44-41/h3-27H,1-2H3
InChIKeyUIUYTRMCDXAVJH-UHFFFAOYSA-N
XLogP11.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.73
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-[3-(4-methylphenyl)phenyl]pyridine
CID 59294838
5-methyl-2-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]pyridine
CID 171470506
2-(5-methyl-2-pyridinyl)-5-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 88554329
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809
5-(10-naphthalen-2-ylanthracen-9-yl)-2-[3-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]phenyl]pyridine
CID 174903865
5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine
CID 88551889
2-(5-methyl-2-pyridinyl)-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 88554691
5-methyl-2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]pyridine
CID 134531244
5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine
CID 88554768
2-[3-(2,3-difluorophenyl)phenyl]-5-methylpyridine
CID 59294841
(3,5-diphenylphenyl)-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]methanone
CID 140587112
3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
CID 88552191

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-[10-[4-(4-methylphenyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine?
The IUPAC name of 5-methyl-2-[3-[10-[4-(4-methylphenyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine (CID 152919658) is 5-methyl-2-[3-[10-[4-(4-methylphenyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine.
What is the SMILES notation for 5-methyl-2-[3-[10-[4-(4-methylphenyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine?
The canonical SMILES for 5-methyl-2-[3-[10-[4-(4-methylphenyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine is Cc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc(C)cn5)c4)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 5-methyl-2-[3-[10-[4-(4-methylphenyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine?
The InChIKey is UIUYTRMCDXAVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N/c1-28-18-21-30(22-19-28)33-23-24-40(35-13-4-3-12-34(33)35)43-38-16-7-5-14-36(38)42(37-15-6-8-17-39(37)43)32-11-9-10-31(26-32)41-25-20-29(2)27-44-41/h3-27H,1-2H3.
What are the key properties of 5-methyl-2-[3-[10-[4-(4-methylphenyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine?
5-methyl-2-[3-[10-[4-(4-methylphenyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine has a molecular weight of 561.73 g/mol, XLogP of 11.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-[10-[4-(4-methylphenyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine is sourced from PubChem (CID 152919658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).