14-(3-bromophenyl)-12-(4-bromophenyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C142H86Br2N10 — CID 157400153

About 14-(3-bromophenyl)-12-(4-bromophenyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

14-(3-bromophenyl)-12-(4-bromophenyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 157400153) has the molecular formula C142H86Br2N10 and a molecular weight of 2092.13 g/mol. Its IUPAC name is 14-(3-bromophenyl)-12-(4-bromophenyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

• Compound Name: 14-(3-bromophenyl)-12-(4-bromophenyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
• PubChem CID: 157400153
• Molecular Formula: C142H86Br2N10
• Molecular Weight: 2092.13 g/mol
• Exact Mass: 2088.54
• IUPAC Name: 14-(3-bromophenyl)-12-(4-bromophenyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
• SMILES: Brc1ccc(-c2nc(-c3cccc(Br)c3)c3c(n2)-c2cccc4cccc-3c24)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6cccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)c6)c6c(n5)-c5cccc7cccc-6c57)cc4)ccc32)cc1
• InChI: InChI=1S/C86H52N6.C30H20N2.C26H14Br2N2/c1-3-21-60(22-4-1)89-74-32-11-7-26-64(74)70-49-55(38-44-78(70)89)57-40-46-80-72(51-57)66-28-9-13-34-76(66)91(80)62-42-36-54(37-43-62)86-87-84(83-68-30-16-18-53-19-17-31-69(82(53)68)85(83)88-86)59-20-15-25-63(48-59)92-77-35-14-10-29-67(77)73-52-58(41-47-81(73)92)56-39-45-79-71(50-56)65-27-8-12-33-75(65)90(79)61-23-5-2-6-24-61;1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28;27-18-12-10-16(11-13-18)26-29-24(17-6-1-7-19(28)14-17)23-20-8-2-4-15-5-3-9-21(22(15)20)25(23)30-26/h1-52H;1-19,31H;1-14H
• InChIKey: BNBCXVKOMUVHFX-UHFFFAOYSA-N
• XLogP: 38.56
• TPSA: 92.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2092.13
LogP ≤ 5	38.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 14-(3-bromophenyl)-12-(4-bromophenyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?

The IUPAC name of 14-(3-bromophenyl)-12-(4-bromophenyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 157400153) is 14-(3-bromophenyl)-12-(4-bromophenyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

What is the SMILES notation for 14-(3-bromophenyl)-12-(4-bromophenyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?

The canonical SMILES for 14-(3-bromophenyl)-12-(4-bromophenyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is Brc1ccc(-c2nc(-c3cccc(Br)c3)c3c(n2)-c2cccc4cccc-3c24)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6cccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)c6)c6c(n5)-c5cccc7cccc-6c57)cc4)ccc32)cc1.

What is the InChIKey of 14-(3-bromophenyl)-12-(4-bromophenyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?

The InChIKey is BNBCXVKOMUVHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H52N6.C30H20N2.C26H14Br2N2/c1-3-21-60(22-4-1)89-74-32-11-7-26-64(74)70-49-55(38-44-78(70)89)57-40-46-80-72(51-57)66-28-9-13-34-76(66)91(80)62-42-36-54(37-43-62)86-87-84(83-68-30-16-18-53-19-17-31-69(82(53)68)85(83)88-86)59-20-15-25-63(48-59)92-77-35-14-10-29-67(77)73-52-58(41-47-81(73)92)56-39-45-79-71(50-56)65-27-8-12-33-75(65)90(79)61-23-5-2-6-24-61;1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28;27-18-12-10-16(11-13-18)26-29-24(17-6-1-7-19(28)14-17)23-20-8-2-4-15-5-3-9-21(22(15)20)25(23)30-26/h1-52H;1-19,31H;1-14H.

What are the key properties of 14-(3-bromophenyl)-12-(4-bromophenyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?

14-(3-bromophenyl)-12-(4-bromophenyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene has a molecular weight of 2092.13 g/mol, XLogP of 38.56, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(3-bromophenyl)-12-(4-bromophenyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 157400153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).