30-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;30-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;11-phenyl-30-pyrimidin-2-yl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene

C137H81N13 — CID 160588052

About 30-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;30-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;11-phenyl-30-pyrimidin-2-yl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene

30-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;30-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;11-phenyl-30-pyrimidin-2-yl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene (PubChem CID 160588052) has the molecular formula C137H81N13 and a molecular weight of 1909.25 g/mol. Its IUPAC name is 30-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;30-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;11-phenyl-30-pyrimidin-2-yl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene.

Molecular Properties

• Compound Name: 30-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;30-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;11-phenyl-30-pyrimidin-2-yl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene
• PubChem CID: 160588052
• Molecular Formula: C137H81N13
• Molecular Weight: 1909.25 g/mol
• Exact Mass: 1907.67
• IUPAC Name: 30-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;30-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;11-phenyl-30-pyrimidin-2-yl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3cc4c6ccccc6n(-c6ccccc6)c4cc3-5)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3cc4c6ccccc6n(-c6ccccc6)c4cc3-5)n2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)-c2cccc3c2c2c5c-4cccc5ccc2n3-c2ncccn2)cc1
• InChI: InChI=1S/C50H30N4.C49H29N5.C38H22N4/c1-4-14-31(15-5-1)41-30-42(32-16-6-2-7-17-32)52-50(51-41)54-44-25-13-23-37-39-29-46-40(35-21-10-11-24-43(35)53(46)34-19-8-3-9-20-34)28-38(39)36-22-12-18-33-26-27-45(54)49(47(33)36)48(37)44;1-4-14-31(15-5-1)47-50-48(32-16-6-2-7-17-32)52-49(51-47)54-41-25-13-23-36-38-29-43-39(34-21-10-11-24-40(34)53(43)33-19-8-3-9-20-33)28-37(38)35-22-12-18-30-26-27-42(54)46(44(30)35)45(36)41;1-2-10-24(11-3-1)41-31-15-5-4-12-25(31)30-21-28-26-13-6-9-23-17-18-33-37(35(23)26)36-27(29(28)22-34(30)41)14-7-16-32(36)42(33)38-39-19-8-20-40-38/h1-30H;1-29H;1-22H
• InChIKey: RCQJPSRMMJVBNB-UHFFFAOYSA-N
• XLogP: 34.48
• TPSA: 119.81 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1909.25
LogP ≤ 5	34.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 30-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;30-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;11-phenyl-30-pyrimidin-2-yl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene?

The IUPAC name of 30-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;30-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;11-phenyl-30-pyrimidin-2-yl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene (CID 160588052) is 30-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;30-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;11-phenyl-30-pyrimidin-2-yl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene.

What is the SMILES notation for 30-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;30-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;11-phenyl-30-pyrimidin-2-yl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene?

The canonical SMILES for 30-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;30-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;11-phenyl-30-pyrimidin-2-yl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3cc4c6ccccc6n(-c6ccccc6)c4cc3-5)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3cc4c6ccccc6n(-c6ccccc6)c4cc3-5)n2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)-c2cccc3c2c2c5c-4cccc5ccc2n3-c2ncccn2)cc1.

What is the InChIKey of 30-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;30-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;11-phenyl-30-pyrimidin-2-yl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene?

The InChIKey is RCQJPSRMMJVBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4.C49H29N5.C38H22N4/c1-4-14-31(15-5-1)41-30-42(32-16-6-2-7-17-32)52-50(51-41)54-44-25-13-23-37-39-29-46-40(35-21-10-11-24-43(35)53(46)34-19-8-3-9-20-34)28-38(39)36-22-12-18-33-26-27-45(54)49(47(33)36)48(37)44;1-4-14-31(15-5-1)47-50-48(32-16-6-2-7-17-32)52-49(51-47)54-41-25-13-23-36-38-29-43-39(34-21-10-11-24-40(34)53(43)33-19-8-3-9-20-33)28-37(38)35-22-12-18-30-26-27-42(54)46(44(30)35)45(36)41;1-2-10-24(11-3-1)41-31-15-5-4-12-25(31)30-21-28-26-13-6-9-23-17-18-33-37(35(23)26)36-27(29(28)22-34(30)41)14-7-16-32(36)42(33)38-39-19-8-20-40-38/h1-30H;1-29H;1-22H.

What are the key properties of 30-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;30-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;11-phenyl-30-pyrimidin-2-yl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene?

30-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;30-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;11-phenyl-30-pyrimidin-2-yl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene has a molecular weight of 1909.25 g/mol, XLogP of 34.48, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 30-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;30-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;11-phenyl-30-pyrimidin-2-yl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene is sourced from PubChem (CID 160588052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).