1-bromo-3-phenylbenzene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-10-(3-phenylphenyl)-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene

C92H61BrN12 — CID 157341928

About 1-bromo-3-phenylbenzene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-10-(3-phenylphenyl)-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene

1-bromo-3-phenylbenzene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-10-(3-phenylphenyl)-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene (PubChem CID 157341928) has the molecular formula C92H61BrN12 and a molecular weight of 1414.49 g/mol. Its IUPAC name is 1-bromo-3-phenylbenzene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-10-(3-phenylphenyl)-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene.

Molecular Properties

• Compound Name: 1-bromo-3-phenylbenzene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-10-(3-phenylphenyl)-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene
• PubChem CID: 157341928
• Molecular Formula: C92H61BrN12
• Molecular Weight: 1414.49 g/mol
• Exact Mass: 1412.43
• IUPAC Name: 1-bromo-3-phenylbenzene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-10-(3-phenylphenyl)-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene
• SMILES: Brc1cccc(-c2ccccc2)c1.c1ccc(-c2cccc(-n3c4ccncc4c4c5c(ccc43)c(-c3ccccc3)cn5-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3cc(-c4ccccc4)c4ccc5[nH]c6ccncc6c5c43)n2)cc1
• InChI: InChI=1S/C46H30N6.C34H22N6.C12H9Br/c1-5-14-31(15-6-1)35-22-13-23-36(28-35)52-40-26-27-47-29-38(40)42-41(52)25-24-37-39(32-16-7-2-8-17-32)30-51(43(37)42)46-49-44(33-18-9-3-10-19-33)48-45(50-46)34-20-11-4-12-21-34;1-4-10-22(11-5-1)27-21-40(31-25(27)16-17-29-30(31)26-20-35-19-18-28(26)36-29)34-38-32(23-12-6-2-7-13-23)37-33(39-34)24-14-8-3-9-15-24;13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-30H;1-21,36H;1-9H
• InChIKey: BGMOHQAYPUJVTP-UHFFFAOYSA-N
• XLogP: 22.94
• TPSA: 133.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1414.49
LogP ≤ 5	22.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-phenylbenzene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-10-(3-phenylphenyl)-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene?

The IUPAC name of 1-bromo-3-phenylbenzene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-10-(3-phenylphenyl)-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene (CID 157341928) is 1-bromo-3-phenylbenzene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-10-(3-phenylphenyl)-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene.

What is the SMILES notation for 1-bromo-3-phenylbenzene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-10-(3-phenylphenyl)-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene?

The canonical SMILES for 1-bromo-3-phenylbenzene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-10-(3-phenylphenyl)-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene is Brc1cccc(-c2ccccc2)c1.c1ccc(-c2cccc(-n3c4ccncc4c4c5c(ccc43)c(-c3ccccc3)cn5-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3cc(-c4ccccc4)c4ccc5[nH]c6ccncc6c5c43)n2)cc1.

What is the InChIKey of 1-bromo-3-phenylbenzene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-10-(3-phenylphenyl)-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene?

The InChIKey is BGMOHQAYPUJVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N6.C34H22N6.C12H9Br/c1-5-14-31(15-6-1)35-22-13-23-36(28-35)52-40-26-27-47-29-38(40)42-41(52)25-24-37-39(32-16-7-2-8-17-32)30-51(43(37)42)46-49-44(33-18-9-3-10-19-33)48-45(50-46)34-20-11-4-12-21-34;1-4-10-22(11-5-1)27-21-40(31-25(27)16-17-29-30(31)26-20-35-19-18-28(26)36-29)34-38-32(23-12-6-2-7-13-23)37-33(39-34)24-14-8-3-9-15-24;13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-30H;1-21,36H;1-9H.

What are the key properties of 1-bromo-3-phenylbenzene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-10-(3-phenylphenyl)-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene?

1-bromo-3-phenylbenzene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-10-(3-phenylphenyl)-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene has a molecular weight of 1414.49 g/mol, XLogP of 22.94, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-3-phenylbenzene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-10-(3-phenylphenyl)-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3,10,14-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene is sourced from PubChem (CID 157341928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).