3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine

C62H38N2Se — CID 160703735

IUPAC3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)[se]c3cccc(-c5c6ccccc6c(-c6cc(-c7cccnc7)cc(-c7cccnc7)c6)c6ccccc56)c34)c3ccccc23)cc1
InChIInChI=1S/C62H38N2Se/c1-2-15-39(16-3-1)58-46-19-4-6-21-48(46)59(49-22-7-5-20-47(49)58)40-29-30-54-57(36-40)65-56-28-12-27-55(62(54)56)61-52-25-10-8-23-50(52)60(51-24-9-11-26-53(51)61)45-34-43(41-17-13-31-63-37-41)33-44(35-45)42-18-14-32-64-38-42/h1-38H
InChIKeyMFIGPORFPUZLBX-UHFFFAOYSA-N
MW889.96 g/mol
LogP16.45
Rot. Bonds6

About 3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine

3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine (PubChem CID 160703735) has the molecular formula C62H38N2Se and a molecular weight of 889.96 g/mol. Its IUPAC name is 3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine.

Molecular Properties

Compound Name3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine
PubChem CID160703735
Molecular FormulaC62H38N2Se
Molecular Weight889.96 g/mol
Exact Mass890.22
IUPAC Name3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)[se]c3cccc(-c5c6ccccc6c(-c6cc(-c7cccnc7)cc(-c7cccnc7)c6)c6ccccc56)c34)c3ccccc23)cc1
InChIInChI=1S/C62H38N2Se/c1-2-15-39(16-3-1)58-46-19-4-6-21-48(46)59(49-22-7-5-20-47(49)58)40-29-30-54-57(36-40)65-56-28-12-27-55(62(54)56)61-52-25-10-8-23-50(52)60(51-24-9-11-26-53(51)61)45-34-43(41-17-13-31-63-37-41)33-44(35-45)42-18-14-32-64-38-42/h1-38H
InChIKeyMFIGPORFPUZLBX-UHFFFAOYSA-N
XLogP16.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.96
LogP ≤ 516.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 160746468
2-methyl-5-[10-[7-[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]furan
CID 161037729
3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
CID 90361582
3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
CID 118564006
3-[3-[9-[3-(2,3,4,5-tetraphenylphenyl)phenyl]pyren-4-yl]phenyl]pyridine
CID 139394574
9-phenyl-2-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole
CID 159906091
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-[3-[5-[3-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130271449
2-[3-(10-phenylanthracen-9-yl)phenyl]-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 134194394
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 158253863
2-[3-(10-phenylanthracen-9-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine
CID 129084345

Frequently Asked Questions

What is the IUPAC name of 3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine?
The IUPAC name of 3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine (CID 160703735) is 3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine.
What is the SMILES notation for 3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine?
The canonical SMILES for 3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine is c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)[se]c3cccc(-c5c6ccccc6c(-c6cc(-c7cccnc7)cc(-c7cccnc7)c6)c6ccccc56)c34)c3ccccc23)cc1.
What is the InChIKey of 3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine?
The InChIKey is MFIGPORFPUZLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2Se/c1-2-15-39(16-3-1)58-46-19-4-6-21-48(46)59(49-22-7-5-20-47(49)58)40-29-30-54-57(36-40)65-56-28-12-27-55(62(54)56)61-52-25-10-8-23-50(52)60(51-24-9-11-26-53(51)61)45-34-43(41-17-13-31-63-37-41)33-44(35-45)42-18-14-32-64-38-42/h1-38H.
What are the key properties of 3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine?
3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine has a molecular weight of 889.96 g/mol, XLogP of 16.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine is sourced from PubChem (CID 160703735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).