3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine

C59H37N — CID 58963342

IUPAC3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
SMILESc1cncc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)c3ccccc23)c1
InChIInChI=1S/C59H37N/c1-3-14-42-34-45(29-25-38(42)12-1)57-50-19-7-8-20-51(50)58(46-30-26-39-13-2-4-15-43(39)35-46)55-36-44(31-32-54(55)57)40-23-27-41(28-24-40)56-48-17-5-9-21-52(48)59(47-16-11-33-60-37-47)53-22-10-6-18-49(53)56/h1-37H
InChIKeyGQBCENAAGQOGSP-UHFFFAOYSA-N
MW759.95 g/mol
LogP16.34
Rot. Bonds5

About 3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine

3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine (PubChem CID 58963342) has the molecular formula C59H37N and a molecular weight of 759.95 g/mol. Its IUPAC name is 3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine.

Molecular Properties

Compound Name3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
PubChem CID58963342
Molecular FormulaC59H37N
Molecular Weight759.95 g/mol
Exact Mass759.29
IUPAC Name3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
SMILESc1cncc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)c3ccccc23)c1
InChIInChI=1S/C59H37N/c1-3-14-42-34-45(29-25-38(42)12-1)57-50-19-7-8-20-51(50)58(46-30-26-39-13-2-4-15-43(39)35-46)55-36-44(31-32-54(55)57)40-23-27-41(28-24-40)56-48-17-5-9-21-52(48)59(47-16-11-33-60-37-47)53-22-10-6-18-49(53)56/h1-37H
InChIKeyGQBCENAAGQOGSP-UHFFFAOYSA-N
XLogP16.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.95
LogP ≤ 516.34
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

3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
CID 90361582
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline
CID 59182917
7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline
CID 59183030
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692

Frequently Asked Questions

What is the IUPAC name of 3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine?
The IUPAC name of 3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine (CID 58963342) is 3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine.
What is the SMILES notation for 3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine?
The canonical SMILES for 3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine is c1cncc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)c3ccccc23)c1.
What is the InChIKey of 3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine?
The InChIKey is GQBCENAAGQOGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N/c1-3-14-42-34-45(29-25-38(42)12-1)57-50-19-7-8-20-51(50)58(46-30-26-39-13-2-4-15-43(39)35-46)55-36-44(31-32-54(55)57)40-23-27-41(28-24-40)56-48-17-5-9-21-52(48)59(47-16-11-33-60-37-47)53-22-10-6-18-49(53)56/h1-37H.
What are the key properties of 3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine?
3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine has a molecular weight of 759.95 g/mol, XLogP of 16.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine is sourced from PubChem (CID 58963342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).