2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine

C41H27N — CID 87436583

IUPAC2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine
SMILESc1ccc(-c2cccnc2-c2cccc3c(-c4ccccc4)c4ccccc4c(-c4cccc5ccccc45)c23)cc1
InChIInChI=1S/C41H27N/c1-3-14-29(15-4-1)32-26-13-27-42-41(32)37-25-12-24-36-38(30-17-5-2-6-18-30)34-21-9-10-22-35(34)39(40(36)37)33-23-11-19-28-16-7-8-20-31(28)33/h1-27H
InChIKeyNAIHNPIXPXHPOL-UHFFFAOYSA-N
MW533.67 g/mol
LogP11.21
Rot. Bonds4

About 2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine

2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine (PubChem CID 87436583) has the molecular formula C41H27N and a molecular weight of 533.67 g/mol. Its IUPAC name is 2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine.

Molecular Properties

Compound Name2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine
PubChem CID87436583
Molecular FormulaC41H27N
Molecular Weight533.67 g/mol
Exact Mass533.21
IUPAC Name2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine
SMILESc1ccc(-c2cccnc2-c2cccc3c(-c4ccccc4)c4ccccc4c(-c4cccc5ccccc45)c23)cc1
InChIInChI=1S/C41H27N/c1-3-14-29(15-4-1)32-26-13-27-42-41(32)37-25-12-24-36-38(30-17-5-2-6-18-30)34-21-9-10-22-35(34)39(40(36)37)33-23-11-19-28-16-7-8-20-31(28)33/h1-27H
InChIKeyNAIHNPIXPXHPOL-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

10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
CID 58322889
9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline
CID 89342073
5-(5-naphthalen-1-yl-6-phenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline
CID 89178088
5-(6-naphthalen-1-ylnaphthalen-2-yl)-10-phenylbenzo[g]quinoline
CID 59183100
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene
CID 58323303
N-(10-naphthalen-1-ylanthracen-9-yl)-3-phenylpyridin-2-amine
CID 87440082
10-naphthalen-1-yl-5-[3-(4-phenylphenyl)phenyl]benzo[g]quinoline
CID 59183418
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
4-(10-naphthalen-1-ylanthracen-9-yl)pyridine
CID 89341882
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463

Frequently Asked Questions

What is the IUPAC name of 2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine?
The IUPAC name of 2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine (CID 87436583) is 2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine.
What is the SMILES notation for 2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine?
The canonical SMILES for 2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine is c1ccc(-c2cccnc2-c2cccc3c(-c4ccccc4)c4ccccc4c(-c4cccc5ccccc45)c23)cc1.
What is the InChIKey of 2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine?
The InChIKey is NAIHNPIXPXHPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N/c1-3-14-29(15-4-1)32-26-13-27-42-41(32)37-25-12-24-36-38(30-17-5-2-6-18-30)34-21-9-10-22-35(34)39(40(36)37)33-23-11-19-28-16-7-8-20-31(28)33/h1-27H.
What are the key properties of 2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine?
2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-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-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine is sourced from PubChem (CID 87436583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).