3-[3,6,8-tris(3-phenylphenyl)pyren-1-yl]pyridine

C57H37N — CID 58924974

IUPAC3-[3,6,8-tris(3-phenylphenyl)pyren-1-yl]pyridine
SMILESc1ccc(-c2cccc(-c3cc(-c4cccnc4)c4ccc5c(-c6cccc(-c7ccccc7)c6)cc(-c6cccc(-c7ccccc7)c6)c6ccc3c4c56)c2)cc1
InChIInChI=1S/C57H37N/c1-4-14-38(15-5-1)41-20-10-23-44(32-41)52-35-53(45-24-11-21-42(33-45)39-16-6-2-7-17-39)49-29-30-51-55(47-26-13-31-58-37-47)36-54(50-28-27-48(52)56(49)57(50)51)46-25-12-22-43(34-46)40-18-8-3-9-19-40/h1-37H
InChIKeyGQKPJZGCOYHNKM-UHFFFAOYSA-N
MW735.93 g/mol
LogP15.65
Rot. Bonds7

About 3-[3,6,8-tris(3-phenylphenyl)pyren-1-yl]pyridine

3-[3,6,8-tris(3-phenylphenyl)pyren-1-yl]pyridine (PubChem CID 58924974) has the molecular formula C57H37N and a molecular weight of 735.93 g/mol. Its IUPAC name is 3-[3,6,8-tris(3-phenylphenyl)pyren-1-yl]pyridine.

Molecular Properties

Compound Name3-[3,6,8-tris(3-phenylphenyl)pyren-1-yl]pyridine
PubChem CID58924974
Molecular FormulaC57H37N
Molecular Weight735.93 g/mol
Exact Mass735.29
IUPAC Name3-[3,6,8-tris(3-phenylphenyl)pyren-1-yl]pyridine
SMILESc1ccc(-c2cccc(-c3cc(-c4cccnc4)c4ccc5c(-c6cccc(-c7ccccc7)c6)cc(-c6cccc(-c7ccccc7)c6)c6ccc3c4c56)c2)cc1
InChIInChI=1S/C57H37N/c1-4-14-38(15-5-1)41-20-10-23-44(32-41)52-35-53(45-24-11-21-42(33-45)39-16-6-2-7-17-39)49-29-30-51-55(47-26-13-31-58-37-47)36-54(50-28-27-48(52)56(49)57(50)51)46-25-12-22-43(34-46)40-18-8-3-9-19-40/h1-37H
InChIKeyGQKPJZGCOYHNKM-UHFFFAOYSA-N
XLogP15.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.93
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-3,6,8-tris(3-phenylphenyl)pyrene
CID 59391073
3-[3,6,8-tris(4-methylphenyl)pyren-1-yl]pyridine
CID 58924986
2-[6-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-3,8-diphenylpyren-1-yl]-4,6-dipyridin-3-yl-1,3,5-triazine
CID 146230581
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
3-[3-[9-[3-(2,3,4,5-tetraphenylphenyl)phenyl]pyren-4-yl]phenyl]pyridine
CID 139394574
3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116854
3-(3,5-diphenylphenyl)pyridine
CID 141411458
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
1,6-dinaphthalen-2-yl-3,8-bis(3-phenylphenyl)pyrene
CID 59391099
3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 67990643
2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine
CID 157121203
1-phenyl-3,6,8-tris(4-phenylphenyl)pyrene
CID 59391253

Frequently Asked Questions

What is the IUPAC name of 3-[3,6,8-tris(3-phenylphenyl)pyren-1-yl]pyridine?
The IUPAC name of 3-[3,6,8-tris(3-phenylphenyl)pyren-1-yl]pyridine (CID 58924974) is 3-[3,6,8-tris(3-phenylphenyl)pyren-1-yl]pyridine.
What is the SMILES notation for 3-[3,6,8-tris(3-phenylphenyl)pyren-1-yl]pyridine?
The canonical SMILES for 3-[3,6,8-tris(3-phenylphenyl)pyren-1-yl]pyridine is c1ccc(-c2cccc(-c3cc(-c4cccnc4)c4ccc5c(-c6cccc(-c7ccccc7)c6)cc(-c6cccc(-c7ccccc7)c6)c6ccc3c4c56)c2)cc1.
What is the InChIKey of 3-[3,6,8-tris(3-phenylphenyl)pyren-1-yl]pyridine?
The InChIKey is GQKPJZGCOYHNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N/c1-4-14-38(15-5-1)41-20-10-23-44(32-41)52-35-53(45-24-11-21-42(33-45)39-16-6-2-7-17-39)49-29-30-51-55(47-26-13-31-58-37-47)36-54(50-28-27-48(52)56(49)57(50)51)46-25-12-22-43(34-46)40-18-8-3-9-19-40/h1-37H.
What are the key properties of 3-[3,6,8-tris(3-phenylphenyl)pyren-1-yl]pyridine?
3-[3,6,8-tris(3-phenylphenyl)pyren-1-yl]pyridine has a molecular weight of 735.93 g/mol, XLogP of 15.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,6,8-tris(3-phenylphenyl)pyren-1-yl]pyridine is sourced from PubChem (CID 58924974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).