6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine

C117H69N15 — CID 162098474

IUPAC6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine
SMILESc1ccc2c(-c3cc(-c4ccc5nnnnc5c4)cc(-c4c5ccccc5cc5ccccc45)n3)c3ccccc3cc2c1.c1ccc2cc3c(-c4cc(-c5ccc6nnnnc6c5)cc(-c5cccc6cc7ccccc7cc56)n4)cccc3cc2c1.c1ccc2cc3cc(-c4cc(-c5ccc6nnnnc6c5)cc(-c5ccc6cc7ccccc7cc6c5)n4)ccc3cc2c1
InChIInChI=1S/3C39H23N5/c1-5-13-30-25(9-1)19-26-10-2-6-14-31(26)38(30)36-22-29(24-17-18-34-35(21-24)42-44-43-41-34)23-37(40-36)39-32-15-7-3-11-27(32)20-28-12-4-8-16-33(28)39;1-3-9-26-19-34-29(17-24(26)7-1)11-5-13-32(34)37-22-31(28-15-16-36-39(21-28)42-44-43-41-36)23-38(40-37)33-14-6-12-30-18-25-8-2-4-10-27(25)20-35(30)33;1-3-7-26-17-33-19-31(11-9-28(33)15-24(26)5-1)37-22-35(30-13-14-36-39(21-30)42-44-43-41-36)23-38(40-37)32-12-10-29-16-25-6-2-4-8-27(25)18-34(29)20-32/h3*1-23H
InChIKeyZEOHYGDIVWGYLV-UHFFFAOYSA-N
MW1684.94 g/mol
LogP28.29
Rot. Bonds9

About 6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine

6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine (PubChem CID 162098474) has the molecular formula C117H69N15 and a molecular weight of 1684.94 g/mol. Its IUPAC name is 6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine.

Molecular Properties

Compound Name6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine
PubChem CID162098474
Molecular FormulaC117H69N15
Molecular Weight1684.94 g/mol
Exact Mass1683.59
IUPAC Name6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine
SMILESc1ccc2c(-c3cc(-c4ccc5nnnnc5c4)cc(-c4c5ccccc5cc5ccccc45)n3)c3ccccc3cc2c1.c1ccc2cc3c(-c4cc(-c5ccc6nnnnc6c5)cc(-c5cccc6cc7ccccc7cc56)n4)cccc3cc2c1.c1ccc2cc3cc(-c4cc(-c5ccc6nnnnc6c5)cc(-c5ccc6cc7ccccc7cc6c5)n4)ccc3cc2c1
InChIInChI=1S/3C39H23N5/c1-5-13-30-25(9-1)19-26-10-2-6-14-31(26)38(30)36-22-29(24-17-18-34-35(21-24)42-44-43-41-34)23-37(40-36)39-32-15-7-3-11-27(32)20-28-12-4-8-16-33(28)39;1-3-9-26-19-34-29(17-24(26)7-1)11-5-13-32(34)37-22-31(28-15-16-36-39(21-28)42-44-43-41-36)23-38(40-37)33-14-6-12-30-18-25-8-2-4-10-27(25)20-35(30)33;1-3-7-26-17-33-19-31(11-9-28(33)15-24(26)5-1)37-22-35(30-13-14-36-39(21-30)42-44-43-41-36)23-38(40-37)32-12-10-29-16-25-6-2-4-8-27(25)18-34(29)20-32/h3*1-23H
InChIKeyZEOHYGDIVWGYLV-UHFFFAOYSA-N
XLogP28.29
TPSA193.35 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001684.94
LogP ≤ 528.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine with MolForge

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Related Compounds

6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;7-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,4-benzotriazine;7-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,4-benzotriazine;7-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,4-benzotriazine;6-[2,6-di(anthracen-1-yl)-4-pyridinyl]quinazoline;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]quinazoline;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]quinazoline
CID 158143774
6-[2,6-di(anthracen-9-yl)-4-pyridinyl]isoquinoline
CID 154599243
4-anthracen-9-yl-2-[4-[4-(4-anthracen-9-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]-6-naphthalen-2-ylpyrimidine
CID 88557833
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 177076820
4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine
CID 122447956
2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 143886225
9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 86701353
2-naphthalen-1-ylanthracene
CID 2748705
2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine
CID 118901430
2-naphthalen-1-yl-4-naphthalen-2-ylpyridine
CID 144888160
2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenanthren-2-ylpyridine;9-naphthalen-2-yl-10-(3-phenanthren-2-yl-5-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[3-(3-phenanthren-2-ylphenyl)phenyl]anthracene;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenanthren-2-ylpyridine;9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-2-yl-5-phenylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-[3-(3-phenanthren-2-ylphenyl)phenyl]anthracene
CID 159524474
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)pyrimidine
CID 177076865

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine?
The IUPAC name of 6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine (CID 162098474) is 6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine.
What is the SMILES notation for 6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine?
The canonical SMILES for 6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine is c1ccc2c(-c3cc(-c4ccc5nnnnc5c4)cc(-c4c5ccccc5cc5ccccc45)n3)c3ccccc3cc2c1.c1ccc2cc3c(-c4cc(-c5ccc6nnnnc6c5)cc(-c5cccc6cc7ccccc7cc56)n4)cccc3cc2c1.c1ccc2cc3cc(-c4cc(-c5ccc6nnnnc6c5)cc(-c5ccc6cc7ccccc7cc6c5)n4)ccc3cc2c1.
What is the InChIKey of 6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine?
The InChIKey is ZEOHYGDIVWGYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C39H23N5/c1-5-13-30-25(9-1)19-26-10-2-6-14-31(26)38(30)36-22-29(24-17-18-34-35(21-24)42-44-43-41-34)23-37(40-36)39-32-15-7-3-11-27(32)20-28-12-4-8-16-33(28)39;1-3-9-26-19-34-29(17-24(26)7-1)11-5-13-32(34)37-22-31(28-15-16-36-39(21-28)42-44-43-41-36)23-38(40-37)33-14-6-12-30-18-25-8-2-4-10-27(25)20-35(30)33;1-3-7-26-17-33-19-31(11-9-28(33)15-24(26)5-1)37-22-35(30-13-14-36-39(21-30)42-44-43-41-36)23-38(40-37)32-12-10-29-16-25-6-2-4-8-27(25)18-34(29)20-32/h3*1-23H.
What are the key properties of 6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine?
6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine has a molecular weight of 1684.94 g/mol, XLogP of 28.29, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-di(anthracen-1-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-2-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine;6-[2,6-di(anthracen-9-yl)-4-pyridinyl]-1,2,3,4-benzotetrazine is sourced from PubChem (CID 162098474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).