2-methyl-6-[10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine

C50H33N — CID 58894807

IUPAC2-methyl-6-[10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
SMILESCc1cccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)c3ccccc23)n1
InChIInChI=1S/C50H33N/c1-32-13-12-24-46(51-32)50-44-22-10-8-20-42(44)48(43-21-9-11-23-45(43)50)35-28-26-34(27-29-35)47-38-16-4-6-18-40(38)49(41-19-7-5-17-39(41)47)37-30-25-33-14-2-3-15-36(33)31-37/h2-31H,1H3
InChIKeyPQTMZWYXLUDBNF-UHFFFAOYSA-N
MW647.82 g/mol
LogP13.82
Rot. Bonds4

About 2-methyl-6-[10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine

2-methyl-6-[10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine (PubChem CID 58894807) has the molecular formula C50H33N and a molecular weight of 647.82 g/mol. Its IUPAC name is 2-methyl-6-[10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
PubChem CID58894807
Molecular FormulaC50H33N
Molecular Weight647.82 g/mol
Exact Mass647.26
IUPAC Name2-methyl-6-[10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
SMILESCc1cccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)c3ccccc23)n1
InChIInChI=1S/C50H33N/c1-32-13-12-24-46(51-32)50-44-22-10-8-20-42(44)48(43-21-9-11-23-45(43)50)35-28-26-34(27-29-35)47-38-16-4-6-18-40(38)49(41-19-7-5-17-39(41)47)37-30-25-33-14-2-3-15-36(33)31-37/h2-31H,1H3
InChIKeyPQTMZWYXLUDBNF-UHFFFAOYSA-N
XLogP13.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.82
LogP ≤ 513.82
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

2-anthracen-9-yl-6-methylpyridine
CID 144659337
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 118487428
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
trimethyl-[6-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-2-yl]silane
CID 58151270
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine?
The IUPAC name of 2-methyl-6-[10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine (CID 58894807) is 2-methyl-6-[10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine.
What is the SMILES notation for 2-methyl-6-[10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine?
The canonical SMILES for 2-methyl-6-[10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine is Cc1cccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)c3ccccc23)n1.
What is the InChIKey of 2-methyl-6-[10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine?
The InChIKey is PQTMZWYXLUDBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N/c1-32-13-12-24-46(51-32)50-44-22-10-8-20-42(44)48(43-21-9-11-23-45(43)50)35-28-26-34(27-29-35)47-38-16-4-6-18-40(38)49(41-19-7-5-17-39(41)47)37-30-25-33-14-2-3-15-36(33)31-37/h2-31H,1H3.
What are the key properties of 2-methyl-6-[10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine?
2-methyl-6-[10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine has a molecular weight of 647.82 g/mol, XLogP of 13.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine is sourced from PubChem (CID 58894807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).