5-bromo-2-phenylpyridine;3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene;3-(4-naphthalen-1-ylphenyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene

C80H53BrN8 — CID 159527806

About 5-bromo-2-phenylpyridine;3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene;3-(4-naphthalen-1-ylphenyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene

5-bromo-2-phenylpyridine;3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene;3-(4-naphthalen-1-ylphenyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene (PubChem CID 159527806) has the molecular formula C80H53BrN8 and a molecular weight of 1206.26 g/mol. Its IUPAC name is 5-bromo-2-phenylpyridine;3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene;3-(4-naphthalen-1-ylphenyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene.

Molecular Properties

• Compound Name: 5-bromo-2-phenylpyridine;3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene;3-(4-naphthalen-1-ylphenyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene
• PubChem CID: 159527806
• Molecular Formula: C80H53BrN8
• Molecular Weight: 1206.26 g/mol
• Exact Mass: 1204.36
• IUPAC Name: 5-bromo-2-phenylpyridine;3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene;3-(4-naphthalen-1-ylphenyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene
• SMILES: Brc1ccc(-c2ccccc2)nc1.c1ccc(-c2ccc(-n3c4cnccc4c4ccc5ccn(-c6ccc(-c7cccc8ccccc78)cc6)c5c43)cn2)cc1.c1ccc2c(-c3ccc(-n4ccc5ccc6c7ccncc7[nH]c6c54)cc3)cccc2c1
• InChI: InChI=1S/C40H26N4.C29H19N3.C11H8BrN/c1-2-8-29(9-3-1)37-20-18-32(25-42-37)44-38-26-41-23-21-35(38)36-19-15-30-22-24-43(39(30)40(36)44)31-16-13-28(14-17-31)34-12-6-10-27-7-4-5-11-33(27)34;1-2-6-23-19(4-1)5-3-7-24(23)20-8-11-22(12-9-20)32-17-15-21-10-13-26-25-14-16-30-18-27(25)31-28(26)29(21)32;12-10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-26H;1-18,31H;1-8H
• InChIKey: MCPIUBDBJOKZCF-UHFFFAOYSA-N
• XLogP: 21.00
• TPSA: 82.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1206.26
LogP ≤ 5	21.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenylpyridine;3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene;3-(4-naphthalen-1-ylphenyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene?

The IUPAC name of 5-bromo-2-phenylpyridine;3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene;3-(4-naphthalen-1-ylphenyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene (CID 159527806) is 5-bromo-2-phenylpyridine;3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene;3-(4-naphthalen-1-ylphenyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene.

What is the SMILES notation for 5-bromo-2-phenylpyridine;3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene;3-(4-naphthalen-1-ylphenyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene?

The canonical SMILES for 5-bromo-2-phenylpyridine;3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene;3-(4-naphthalen-1-ylphenyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene is Brc1ccc(-c2ccccc2)nc1.c1ccc(-c2ccc(-n3c4cnccc4c4ccc5ccn(-c6ccc(-c7cccc8ccccc78)cc6)c5c43)cn2)cc1.c1ccc2c(-c3ccc(-n4ccc5ccc6c7ccncc7[nH]c6c54)cc3)cccc2c1.

What is the InChIKey of 5-bromo-2-phenylpyridine;3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene;3-(4-naphthalen-1-ylphenyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene?

The InChIKey is MCPIUBDBJOKZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4.C29H19N3.C11H8BrN/c1-2-8-29(9-3-1)37-20-18-32(25-42-37)44-38-26-41-23-21-35(38)36-19-15-30-22-24-43(39(30)40(36)44)31-16-13-28(14-17-31)34-12-6-10-27-7-4-5-11-33(27)34;1-2-6-23-19(4-1)5-3-7-24(23)20-8-11-22(12-9-20)32-17-15-21-10-13-26-25-14-16-30-18-27(25)31-28(26)29(21)32;12-10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-26H;1-18,31H;1-8H.

What are the key properties of 5-bromo-2-phenylpyridine;3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene;3-(4-naphthalen-1-ylphenyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene?

5-bromo-2-phenylpyridine;3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene;3-(4-naphthalen-1-ylphenyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene has a molecular weight of 1206.26 g/mol, XLogP of 21.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-phenylpyridine;3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene;3-(4-naphthalen-1-ylphenyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene is sourced from PubChem (CID 159527806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).