25-(4-phenylphenyl)-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-(3-phenylphenyl)-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;25-phenyl-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-phenyl-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene

C148H84N16 — CID 158048205

About 25-(4-phenylphenyl)-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-(3-phenylphenyl)-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;25-phenyl-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-phenyl-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene

25-(4-phenylphenyl)-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-(3-phenylphenyl)-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;25-phenyl-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-phenyl-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene (PubChem CID 158048205) has the molecular formula C148H84N16 and a molecular weight of 2086.41 g/mol. Its IUPAC name is 25-(4-phenylphenyl)-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-(3-phenylphenyl)-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;25-phenyl-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-phenyl-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 25-(4-phenylphenyl)-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-(3-phenylphenyl)-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;25-phenyl-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-phenyl-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene
• PubChem CID: 158048205
• Molecular Formula: C148H84N16
• Molecular Weight: 2086.41 g/mol
• Exact Mass: 2084.71
• IUPAC Name: 25-(4-phenylphenyl)-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-(3-phenylphenyl)-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;25-phenyl-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-phenyl-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4cc5c6c7ccccc7ccc6n6c7nc8ccccc8nc7c(c43)c56)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc5c6ccccc6n6c7nc8ccccc8nc7c(c43)c56)c2)cc1.c1ccc(-n2c3ccccc3c3cc4c5c6ccccc6ccc5n5c6nc7ccccc7nc6c(c32)c45)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5n5c6nc7ccccc7nc6c(c32)c45)cc1
• InChI: InChI=1S/C42H24N4.C38H22N4.C36H20N4.C32H18N4/c1-2-10-25(11-3-1)26-18-21-28(22-19-26)45-35-17-9-6-14-30(35)31-24-32-37-29-13-5-4-12-27(29)20-23-36(37)46-41(32)38(40(31)45)39-42(46)44-34-16-8-7-15-33(34)43-39;1-2-11-23(12-3-1)24-13-10-14-25(21-24)41-32-19-8-4-15-26(32)28-22-29-27-16-5-9-20-33(27)42-37(29)34(36(28)41)35-38(42)40-31-18-7-6-17-30(31)39-35;1-2-11-22(12-3-1)39-29-17-9-6-14-24(29)25-20-26-31-23-13-5-4-10-21(23)18-19-30(31)40-35(26)32(34(25)39)33-36(40)38-28-16-8-7-15-27(28)37-33;1-2-10-19(11-3-1)35-26-16-8-4-12-20(26)22-18-23-21-13-5-9-17-27(21)36-31(23)28(30(22)35)29-32(36)34-25-15-7-6-14-24(25)33-29/h1-24H;1-22H;1-20H;1-18H
• InChIKey: FJDZUCYMEMJJEC-UHFFFAOYSA-N
• XLogP: 37.15
• TPSA: 140.48 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2086.41
LogP ≤ 5	37.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 25-(4-phenylphenyl)-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-(3-phenylphenyl)-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;25-phenyl-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-phenyl-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene?

The IUPAC name of 25-(4-phenylphenyl)-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-(3-phenylphenyl)-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;25-phenyl-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-phenyl-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene (CID 158048205) is 25-(4-phenylphenyl)-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-(3-phenylphenyl)-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;25-phenyl-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-phenyl-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene.

What is the SMILES notation for 25-(4-phenylphenyl)-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-(3-phenylphenyl)-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;25-phenyl-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-phenyl-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene?

The canonical SMILES for 25-(4-phenylphenyl)-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-(3-phenylphenyl)-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;25-phenyl-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-phenyl-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene is c1ccc(-c2ccc(-n3c4ccccc4c4cc5c6c7ccccc7ccc6n6c7nc8ccccc8nc7c(c43)c56)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc5c6ccccc6n6c7nc8ccccc8nc7c(c43)c56)c2)cc1.c1ccc(-n2c3ccccc3c3cc4c5c6ccccc6ccc5n5c6nc7ccccc7nc6c(c32)c45)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5n5c6nc7ccccc7nc6c(c32)c45)cc1.

What is the InChIKey of 25-(4-phenylphenyl)-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-(3-phenylphenyl)-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;25-phenyl-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-phenyl-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene?

The InChIKey is FJDZUCYMEMJJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4.C38H22N4.C36H20N4.C32H18N4/c1-2-10-25(11-3-1)26-18-21-28(22-19-26)45-35-17-9-6-14-30(35)31-24-32-37-29-13-5-4-12-27(29)20-23-36(37)46-41(32)38(40(31)45)39-42(46)44-34-16-8-7-15-33(34)43-39;1-2-11-23(12-3-1)24-13-10-14-25(21-24)41-32-19-8-4-15-26(32)28-22-29-27-16-5-9-20-33(27)42-37(29)34(36(28)41)35-38(42)40-31-18-7-6-17-30(31)39-35;1-2-11-22(12-3-1)39-29-17-9-6-14-24(29)25-20-26-31-23-13-5-4-10-21(23)18-19-30(31)40-35(26)32(34(25)39)33-36(40)38-28-16-8-7-15-27(28)37-33;1-2-10-19(11-3-1)35-26-16-8-4-12-20(26)22-18-23-21-13-5-9-17-27(21)36-31(23)28(30(22)35)29-32(36)34-25-15-7-6-14-24(25)33-29/h1-24H;1-22H;1-20H;1-18H.

What are the key properties of 25-(4-phenylphenyl)-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-(3-phenylphenyl)-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;25-phenyl-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-phenyl-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene?

25-(4-phenylphenyl)-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-(3-phenylphenyl)-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;25-phenyl-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-phenyl-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene has a molecular weight of 2086.41 g/mol, XLogP of 37.15, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 25-(4-phenylphenyl)-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-(3-phenylphenyl)-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;25-phenyl-12,14,21,25-tetrazanonacyclo[21.10.1.02,11.03,8.012,34.013,22.015,20.024,32.026,31]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21,23,26,28,30,32-hexadecaene;3-phenyl-3,19,21,28-tetrazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 158048205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).