2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine

C41H27N — CID 121338692

IUPAC2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine
SMILESc1ccc(-c2cccc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)n2)cc1
InChIInChI=1S/C41H27N/c1-2-13-29(14-3-1)38-22-11-23-39(42-38)30-24-26-31(27-25-30)40-34-17-6-8-19-36(34)41(37-20-9-7-18-35(37)40)33-21-10-15-28-12-4-5-16-32(28)33/h1-27H
InChIKeyKNQVGIOWWNIQCI-UHFFFAOYSA-N
MW533.67 g/mol
LogP11.21
Rot. Bonds4

About 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine

2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine (PubChem CID 121338692) has the molecular formula C41H27N and a molecular weight of 533.67 g/mol. Its IUPAC name is 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine.

Molecular Properties

Compound Name2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine
PubChem CID121338692
Molecular FormulaC41H27N
Molecular Weight533.67 g/mol
Exact Mass533.21
IUPAC Name2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine
SMILESc1ccc(-c2cccc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)n2)cc1
InChIInChI=1S/C41H27N/c1-2-13-29(14-3-1)38-22-11-23-39(42-38)30-24-26-31(27-25-30)40-34-17-6-8-19-36(34)41(37-20-9-7-18-35(37)40)33-21-10-15-28-12-4-5-16-32(28)33/h1-27H
InChIKeyKNQVGIOWWNIQCI-UHFFFAOYSA-N
XLogP11.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.67
LogP ≤ 511.21
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-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine
CID 88914352
2-(6-methyl-9,10-dinaphthalen-1-ylanthracen-2-yl)-6-phenylpyridine
CID 59722146
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine
CID 145299161
10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
CID 58322889
9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene
CID 123260726
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine?
The IUPAC name of 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine (CID 121338692) is 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine.
What is the SMILES notation for 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine?
The canonical SMILES for 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine is c1ccc(-c2cccc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)n2)cc1.
What is the InChIKey of 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine?
The InChIKey is KNQVGIOWWNIQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N/c1-2-13-29(14-3-1)38-22-11-23-39(42-38)30-24-26-31(27-25-30)40-34-17-6-8-19-36(34)41(37-20-9-7-18-35(37)40)33-21-10-15-28-12-4-5-16-32(28)33/h1-27H.
What are the key properties of 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine?
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine has a molecular weight of 533.67 g/mol, XLogP of 11.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine is sourced from PubChem (CID 121338692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).