2-chloro-4,6-diphenyl-1,3,5-triazine;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

C90H55ClN10S2 — CID 158662230

About 2-chloro-4,6-diphenyl-1,3,5-triazine;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

2-chloro-4,6-diphenyl-1,3,5-triazine;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (PubChem CID 158662230) has the molecular formula C90H55ClN10S2 and a molecular weight of 1376.09 g/mol. Its IUPAC name is 2-chloro-4,6-diphenyl-1,3,5-triazine;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.

Molecular Properties

• Compound Name: 2-chloro-4,6-diphenyl-1,3,5-triazine;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
• PubChem CID: 158662230
• Molecular Formula: C90H55ClN10S2
• Molecular Weight: 1376.09 g/mol
• Exact Mass: 1374.37
• IUPAC Name: 2-chloro-4,6-diphenyl-1,3,5-triazine;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
• SMILES: Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)sc3cc4c(cc35)c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)sc2cc3[nH]c5ccccc5c3cc24)cc1
• InChI: InChI=1S/C45H27N5S.C30H18N2S.C15H10ClN3/c1-4-14-28(15-5-1)43-46-44(29-16-6-2-7-17-29)48-45(47-43)50-38-23-13-11-21-32(38)34-25-36-35-24-33-31-20-10-12-22-37(31)49(30-18-8-3-9-19-30)39(33)26-41(35)51-42(36)27-40(34)50;1-2-8-18(9-3-1)32-27-13-7-5-11-20(27)22-15-24-23-14-21-19-10-4-6-12-25(19)31-26(21)16-29(23)33-30(24)17-28(22)32;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-27H;1-17,31H;1-10H
• InChIKey: ICWZJWHRWJKGLW-UHFFFAOYSA-N
• XLogP: 24.41
• TPSA: 107.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1376.09
LogP ≤ 5	24.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-diphenyl-1,3,5-triazine;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?

The IUPAC name of 2-chloro-4,6-diphenyl-1,3,5-triazine;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (CID 158662230) is 2-chloro-4,6-diphenyl-1,3,5-triazine;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.

What is the SMILES notation for 2-chloro-4,6-diphenyl-1,3,5-triazine;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?

The canonical SMILES for 2-chloro-4,6-diphenyl-1,3,5-triazine;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)sc3cc4c(cc35)c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)sc2cc3[nH]c5ccccc5c3cc24)cc1.

What is the InChIKey of 2-chloro-4,6-diphenyl-1,3,5-triazine;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?

The InChIKey is ICWZJWHRWJKGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5S.C30H18N2S.C15H10ClN3/c1-4-14-28(15-5-1)43-46-44(29-16-6-2-7-17-29)48-45(47-43)50-38-23-13-11-21-32(38)34-25-36-35-24-33-31-20-10-12-22-37(31)49(30-18-8-3-9-19-30)39(33)26-41(35)51-42(36)27-40(34)50;1-2-8-18(9-3-1)32-27-13-7-5-11-20(27)22-15-24-23-14-21-19-10-4-6-12-25(19)31-26(21)16-29(23)33-30(24)17-28(22)32;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-27H;1-17,31H;1-10H.

What are the key properties of 2-chloro-4,6-diphenyl-1,3,5-triazine;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?

2-chloro-4,6-diphenyl-1,3,5-triazine;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene has a molecular weight of 1376.09 g/mol, XLogP of 24.41, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4,6-diphenyl-1,3,5-triazine;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is sourced from PubChem (CID 158662230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).