7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-10-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene;20,20-dimethyl-18-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-oxa-17-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-20-oxa-7-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-3-oxa-16-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene

C145H97N17O5 — CID 159598751

About 7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-10-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene;20,20-dimethyl-18-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-oxa-17-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-20-oxa-7-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-3-oxa-16-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene

7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-10-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene;20,20-dimethyl-18-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-oxa-17-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-20-oxa-7-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-3-oxa-16-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene (PubChem CID 159598751) has the molecular formula C145H97N17O5 and a molecular weight of 2157.48 g/mol. Its IUPAC name is 7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-10-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene;20,20-dimethyl-18-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-oxa-17-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-20-oxa-7-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-3-oxa-16-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene.

Molecular Properties

• Compound Name: 7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-10-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene;20,20-dimethyl-18-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-oxa-17-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-20-oxa-7-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-3-oxa-16-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
• PubChem CID: 159598751
• Molecular Formula: C145H97N17O5
• Molecular Weight: 2157.48 g/mol
• Exact Mass: 2155.79
• IUPAC Name: 7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-10-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene;20,20-dimethyl-18-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-oxa-17-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-20-oxa-7-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-3-oxa-16-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
• SMILES: CC1(C)c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cncc2-c2ccc3c(oc4ccccc43)c21.CC1(C)c2c(ccnc2-c2nc(-c3ccccc3)nc(-c3ccccn3)n2)-c2ccc3c(oc4ccccc43)c21.CC1(C)c2cc3c(cc2-c2ccnc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c21)oc1ccccc13.CC1(C)c2ccccc2-c2cc3oc4nc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)ccc4c3cc21
• InChI: InChI=1S/C41H26N4O2.2C35H24N4O.C34H23N5O/c1-41(2)31-14-8-6-12-25(31)28-22-36-30(21-32(28)41)27-17-18-33(42-40(27)47-36)39-44-37(23-10-4-3-5-11-23)43-38(45-39)24-16-19-35-29(20-24)26-13-7-9-15-34(26)46-35;1-35(2)27-19-26-23-15-9-10-16-28(23)40-29(26)20-25(27)24-17-18-36-31(30(24)35)34-38-32(21-11-5-3-6-12-21)37-33(39-34)22-13-7-4-8-14-22;1-35(2)29-26(24-17-18-25-23-15-9-10-16-28(23)40-31(25)30(24)35)19-36-20-27(29)34-38-32(21-11-5-3-6-12-21)37-33(39-34)22-13-7-4-8-14-22;1-34(2)27-23(22-15-16-24-21-12-6-7-14-26(21)40-30(24)28(22)34)17-19-36-29(27)33-38-31(20-10-4-3-5-11-20)37-32(39-33)25-13-8-9-18-35-25/h3-22H,1-2H3;2*3-20H,1-2H3;3-19H,1-2H3
• InChIKey: MLENGPDZQDDJKC-UHFFFAOYSA-N
• XLogP: 35.19
• TPSA: 284.83 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2157.48
LogP ≤ 5	35.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-10-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene;20,20-dimethyl-18-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-oxa-17-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-20-oxa-7-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-3-oxa-16-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene?

The IUPAC name of 7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-10-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene;20,20-dimethyl-18-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-oxa-17-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-20-oxa-7-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-3-oxa-16-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene (CID 159598751) is 7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-10-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene;20,20-dimethyl-18-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-oxa-17-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-20-oxa-7-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-3-oxa-16-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene.

What is the SMILES notation for 7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-10-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene;20,20-dimethyl-18-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-oxa-17-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-20-oxa-7-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-3-oxa-16-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene?

The canonical SMILES for 7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-10-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene;20,20-dimethyl-18-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-oxa-17-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-20-oxa-7-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-3-oxa-16-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene is CC1(C)c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cncc2-c2ccc3c(oc4ccccc43)c21.CC1(C)c2c(ccnc2-c2nc(-c3ccccc3)nc(-c3ccccn3)n2)-c2ccc3c(oc4ccccc43)c21.CC1(C)c2cc3c(cc2-c2ccnc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c21)oc1ccccc13.CC1(C)c2ccccc2-c2cc3oc4nc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)ccc4c3cc21.

What is the InChIKey of 7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-10-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene;20,20-dimethyl-18-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-oxa-17-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-20-oxa-7-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-3-oxa-16-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene?

The InChIKey is MLENGPDZQDDJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4O2.2C35H24N4O.C34H23N5O/c1-41(2)31-14-8-6-12-25(31)28-22-36-30(21-32(28)41)27-17-18-33(42-40(27)47-36)39-44-37(23-10-4-3-5-11-23)43-38(45-39)24-16-19-35-29(20-24)26-13-7-9-15-34(26)46-35;1-35(2)27-19-26-23-15-9-10-16-28(23)40-29(26)20-25(27)24-17-18-36-31(30(24)35)34-38-32(21-11-5-3-6-12-21)37-33(39-34)22-13-7-4-8-14-22;1-35(2)29-26(24-17-18-25-23-15-9-10-16-28(23)40-31(25)30(24)35)19-36-20-27(29)34-38-32(21-11-5-3-6-12-21)37-33(39-34)22-13-7-4-8-14-22;1-34(2)27-23(22-15-16-24-21-12-6-7-14-26(21)40-30(24)28(22)34)17-19-36-29(27)33-38-31(20-10-4-3-5-11-20)37-32(39-33)25-13-8-9-18-35-25/h3-22H,1-2H3;2*3-20H,1-2H3;3-19H,1-2H3.

What are the key properties of 7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-10-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene;20,20-dimethyl-18-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-oxa-17-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-20-oxa-7-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-3-oxa-16-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene?

7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-10-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene;20,20-dimethyl-18-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-oxa-17-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-20-oxa-7-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-3-oxa-16-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene has a molecular weight of 2157.48 g/mol, XLogP of 35.19, 12 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-10-oxa-8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene;20,20-dimethyl-18-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-oxa-17-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-20-oxa-7-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-3-oxa-16-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene is sourced from PubChem (CID 159598751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).