2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene

C102H63BrN10O2 — CID 158694720

About 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene

2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene (PubChem CID 158694720) has the molecular formula C102H63BrN10O2 and a molecular weight of 1540.60 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene.

Molecular Properties

• Compound Name: 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene
• PubChem CID: 158694720
• Molecular Formula: C102H63BrN10O2
• Molecular Weight: 1540.60 g/mol
• Exact Mass: 1538.43
• IUPAC Name: 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene
• SMILES: Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6c6c(c7ccccc7n6-c6ccccc6)c54)c3)n2)cc1.c1ccc(-n2c3ccccc3c3c4[nH]c5ccccc5c4c4oc5ccccc5c4c32)cc1
• InChI: InChI=1S/C51H31N5O.C30H18N2O.C21H14BrN3/c1-4-17-32(18-5-1)49-52-50(33-19-6-2-7-20-33)54-51(53-49)34-21-16-24-36(31-34)56-41-29-14-11-26-38(41)44-46(56)43-37-25-10-13-28-40(37)55(35-22-8-3-9-23-35)47(43)45-39-27-12-15-30-42(39)57-48(44)45;1-2-10-18(11-3-1)32-23-16-8-5-13-20(23)25-28-26(19-12-4-7-15-22(19)31-28)30-27(29(25)32)21-14-6-9-17-24(21)33-30;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-31H;1-17,31H;1-14H
• InChIKey: IGUHCYDJVJZMIL-UHFFFAOYSA-N
• XLogP: 26.92
• TPSA: 134.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1540.60
LogP ≤ 5	26.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene?

The IUPAC name of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene (CID 158694720) is 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene.

What is the SMILES notation for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene?

The canonical SMILES for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene is Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6c6c(c7ccccc7n6-c6ccccc6)c54)c3)n2)cc1.c1ccc(-n2c3ccccc3c3c4[nH]c5ccccc5c4c4oc5ccccc5c4c32)cc1.

What is the InChIKey of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene?

The InChIKey is IGUHCYDJVJZMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5O.C30H18N2O.C21H14BrN3/c1-4-17-32(18-5-1)49-52-50(33-19-6-2-7-20-33)54-51(53-49)34-21-16-24-36(31-34)56-41-29-14-11-26-38(41)44-46(56)43-37-25-10-13-28-40(37)55(35-22-8-3-9-23-35)47(43)45-39-27-12-15-30-42(39)57-48(44)45;1-2-10-18(11-3-1)32-23-16-8-5-13-20(23)25-28-26(19-12-4-7-15-22(19)31-28)30-27(29(25)32)21-14-6-9-17-24(21)33-30;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-31H;1-17,31H;1-14H.

What are the key properties of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene?

2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene has a molecular weight of 1540.60 g/mol, XLogP of 26.92, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene is sourced from PubChem (CID 158694720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).