2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-4,6-diphenylpyridine

C53H35N — CID 59722087

IUPAC2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)c4ccccc34)c2)cc1
InChIInChI=1S/C53H35N/c1-5-17-36(18-6-1)41-34-50(37-19-7-2-8-20-37)54-51(35-41)45-32-31-42(43-25-13-14-26-44(43)45)40-29-30-48-49(33-40)53(39-23-11-4-12-24-39)47-28-16-15-27-46(47)52(48)38-21-9-3-10-22-38/h1-35H
InChIKeyYMSFRIWRLWWZQW-UHFFFAOYSA-N
MW685.87 g/mol
LogP14.54
Rot. Bonds6

About 2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-4,6-diphenylpyridine

2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-4,6-diphenylpyridine (PubChem CID 59722087) has the molecular formula C53H35N and a molecular weight of 685.87 g/mol. Its IUPAC name is 2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-4,6-diphenylpyridine
PubChem CID59722087
Molecular FormulaC53H35N
Molecular Weight685.87 g/mol
Exact Mass685.28
IUPAC Name2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)c4ccccc34)c2)cc1
InChIInChI=1S/C53H35N/c1-5-17-36(18-6-1)41-34-50(37-19-7-2-8-20-37)54-51(35-41)45-32-31-42(43-25-13-14-26-44(43)45)40-29-30-48-49(33-40)53(39-23-11-4-12-24-39)47-28-16-15-27-46(47)52(48)38-21-9-3-10-22-38/h1-35H
InChIKeyYMSFRIWRLWWZQW-UHFFFAOYSA-N
XLogP14.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.87
LogP ≤ 514.54
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

4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine
CID 90361557
2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]triphenylene;2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene;bis(2-(9,10-diphenylanthracen-2-yl)triphenylene)
CID 158141670
2,4-diphenyl-6-triphenylen-2-ylpyridine
CID 118490712
4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)-2,6-diphenylpyrimidine
CID 59722112
6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline
CID 89137414
2-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-4,6-diphenylpyridine
CID 91376653
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684
1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene
CID 59859301
2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 139518099
2-(4,5-diphenylnaphthalen-1-yl)-9-phenyl-10-(4-phenylphenyl)anthracene
CID 123360409
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline
CID 70836400

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-4,6-diphenylpyridine?
The IUPAC name of 2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-4,6-diphenylpyridine (CID 59722087) is 2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-4,6-diphenylpyridine.
What is the SMILES notation for 2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-4,6-diphenylpyridine?
The canonical SMILES for 2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-4,6-diphenylpyridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)c4ccccc34)c2)cc1.
What is the InChIKey of 2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-4,6-diphenylpyridine?
The InChIKey is YMSFRIWRLWWZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N/c1-5-17-36(18-6-1)41-34-50(37-19-7-2-8-20-37)54-51(35-41)45-32-31-42(43-25-13-14-26-44(43)45)40-29-30-48-49(33-40)53(39-23-11-4-12-24-39)47-28-16-15-27-46(47)52(48)38-21-9-3-10-22-38/h1-35H.
What are the key properties of 2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-4,6-diphenylpyridine?
2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-4,6-diphenylpyridine has a molecular weight of 685.87 g/mol, XLogP of 14.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-4,6-diphenylpyridine is sourced from PubChem (CID 59722087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).