24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-19,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-quinazolin-2-yl-3-oxa-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene

C145H96N20O — CID 159733214

About 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-19,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-quinazolin-2-yl-3-oxa-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene

24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-19,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-quinazolin-2-yl-3-oxa-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene (PubChem CID 159733214) has the molecular formula C145H96N20O and a molecular weight of 2134.50 g/mol. Its IUPAC name is 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-19,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-quinazolin-2-yl-3-oxa-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene.

Molecular Properties

• Compound Name: 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-19,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-quinazolin-2-yl-3-oxa-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene
• PubChem CID: 159733214
• Molecular Formula: C145H96N20O
• Molecular Weight: 2134.50 g/mol
• Exact Mass: 2132.81
• IUPAC Name: 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-19,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-quinazolin-2-yl-3-oxa-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene
• SMILES: CC1(C)c2ccccc2-c2ccc3c4ccc5cccnc5c4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccc5ccncc5c4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccc5cncnc5c4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.c1ccc2nc(-n3c4c(ccc5cccnc54)c4ccc5c6ccccc6oc5c43)ncc2c1
• InChI: InChI=1S/2C39H27N5.C38H26N6.C29H16N4O/c1-39(2)31-18-10-9-17-27(31)28-21-22-29-30-20-19-24-16-11-23-40-33(24)35(30)44(34(29)32(28)39)38-42-36(25-12-5-3-6-13-25)41-37(43-38)26-14-7-4-8-15-26;1-39(2)32-16-10-9-15-27(32)28-19-20-30-29-18-17-24-21-22-40-23-31(24)34(29)44(35(30)33(28)39)38-42-36(25-11-5-3-6-12-25)41-37(43-38)26-13-7-4-8-14-26;1-38(2)30-16-10-9-15-26(30)27-19-20-28-29-18-17-25-21-39-22-40-32(25)34(29)44(33(28)31(27)38)37-42-35(23-11-5-3-6-12-23)41-36(43-37)24-13-7-4-8-14-24;1-3-9-23-18(6-1)16-31-29(32-23)33-26-20(12-11-17-7-5-15-30-25(17)26)21-13-14-22-19-8-2-4-10-24(19)34-28(22)27(21)33/h2*3-23H,1-2H3;3-22H,1-2H3;1-16H
• InChIKey: NBMROHZZPIPWTN-UHFFFAOYSA-N
• XLogP: 34.04
• TPSA: 239.10 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2134.50
LogP ≤ 5	34.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-19,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-quinazolin-2-yl-3-oxa-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene?

The IUPAC name of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-19,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-quinazolin-2-yl-3-oxa-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene (CID 159733214) is 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-19,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-quinazolin-2-yl-3-oxa-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene.

What is the SMILES notation for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-19,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-quinazolin-2-yl-3-oxa-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene?

The canonical SMILES for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-19,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-quinazolin-2-yl-3-oxa-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene is CC1(C)c2ccccc2-c2ccc3c4ccc5cccnc5c4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccc5ccncc5c4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccc5cncnc5c4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.c1ccc2nc(-n3c4c(ccc5cccnc54)c4ccc5c6ccccc6oc5c43)ncc2c1.

What is the InChIKey of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-19,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-quinazolin-2-yl-3-oxa-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene?

The InChIKey is NBMROHZZPIPWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H27N5.C38H26N6.C29H16N4O/c1-39(2)31-18-10-9-17-27(31)28-21-22-29-30-20-19-24-16-11-23-40-33(24)35(30)44(34(29)32(28)39)38-42-36(25-12-5-3-6-13-25)41-37(43-38)26-14-7-4-8-15-26;1-39(2)32-16-10-9-15-27(32)28-19-20-30-29-18-17-24-21-22-40-23-31(24)34(29)44(35(30)33(28)39)38-42-36(25-11-5-3-6-12-25)41-37(43-38)26-13-7-4-8-14-26;1-38(2)30-16-10-9-15-26(30)27-19-20-28-29-18-17-25-21-39-22-40-32(25)34(29)44(33(28)31(27)38)37-42-35(23-11-5-3-6-12-23)41-36(43-37)24-13-7-4-8-14-24;1-3-9-23-18(6-1)16-31-29(32-23)33-26-20(12-11-17-7-5-15-30-25(17)26)21-13-14-22-19-8-2-4-10-24(19)34-28(22)27(21)33/h2*3-23H,1-2H3;3-22H,1-2H3;1-16H.

What are the key properties of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-19,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-quinazolin-2-yl-3-oxa-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene?

24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-19,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-quinazolin-2-yl-3-oxa-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene has a molecular weight of 2134.50 g/mol, XLogP of 34.04, 10 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-19,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-quinazolin-2-yl-3-oxa-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene is sourced from PubChem (CID 159733214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).