17-(2-phenylphenyl)-8-[17-(3-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-9-yl]-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5(10),6,8,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene

C84H44N2O4 — CID 155221608

About 17-(2-phenylphenyl)-8-[17-(3-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-9-yl]-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5(10),6,8,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene

17-(2-phenylphenyl)-8-[17-(3-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-9-yl]-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5(10),6,8,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene (PubChem CID 155221608) has the molecular formula C84H44N2O4 and a molecular weight of 1145.29 g/mol. Its IUPAC name is 17-(2-phenylphenyl)-8-[17-(3-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-9-yl]-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5(10),6,8,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene.

Molecular Properties

• Compound Name: 17-(2-phenylphenyl)-8-[17-(3-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-9-yl]-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5(10),6,8,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene
• PubChem CID: 155221608
• Molecular Formula: C84H44N2O4
• Molecular Weight: 1145.29 g/mol
• Exact Mass: 1144.33
• IUPAC Name: 17-(2-phenylphenyl)-8-[17-(3-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-9-yl]-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5(10),6,8,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene
• SMILES: c1ccc(-c2cccc(-c3cc4c5ccc6c7ccccc7oc6c5n5c4c(c3)c3ccc4c(oc6cccc(-c7ccc8oc9c(ccc%10c%11cc(-c%12ccccc%12-c%12ccccc%12)cc%12c%13ccc%14c%15ccccc%15oc%14c%13n(c%12%11)c%109)c8c7)c64)c35)c2)cc1
• InChI: InChI=1S/C84H44N2O4/c1-3-15-45(16-4-1)47-19-13-20-48(39-47)50-41-66-57-30-34-61-55-23-9-11-26-70(55)87-81(61)77(57)86-75(66)67(42-50)60-33-37-64-74-54(25-14-28-73(74)90-84(64)80(60)86)49-29-38-72-65(40-49)63-36-32-59-69-44-51(53-22-8-7-21-52(53)46-17-5-2-6-18-46)43-68-58-31-35-62-56-24-10-12-27-71(56)88-82(62)78(58)85(76(68)69)79(59)83(63)89-72/h1-44H
• InChIKey: MNXMQOABNUYIPM-UHFFFAOYSA-N
• XLogP: 23.92
• TPSA: 61.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1145.29
LogP ≤ 5	23.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 17-(2-phenylphenyl)-8-[17-(3-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-9-yl]-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5(10),6,8,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene?

The IUPAC name of 17-(2-phenylphenyl)-8-[17-(3-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-9-yl]-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5(10),6,8,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene (CID 155221608) is 17-(2-phenylphenyl)-8-[17-(3-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-9-yl]-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5(10),6,8,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene.

What is the SMILES notation for 17-(2-phenylphenyl)-8-[17-(3-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-9-yl]-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5(10),6,8,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene?

The canonical SMILES for 17-(2-phenylphenyl)-8-[17-(3-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-9-yl]-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5(10),6,8,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene is c1ccc(-c2cccc(-c3cc4c5ccc6c7ccccc7oc6c5n5c4c(c3)c3ccc4c(oc6cccc(-c7ccc8oc9c(ccc%10c%11cc(-c%12ccccc%12-c%12ccccc%12)cc%12c%13ccc%14c%15ccccc%15oc%14c%13n(c%12%11)c%109)c8c7)c64)c35)c2)cc1.

What is the InChIKey of 17-(2-phenylphenyl)-8-[17-(3-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-9-yl]-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5(10),6,8,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene?

The InChIKey is MNXMQOABNUYIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H44N2O4/c1-3-15-45(16-4-1)47-19-13-20-48(39-47)50-41-66-57-30-34-61-55-23-9-11-26-70(55)87-81(61)77(57)86-75(66)67(42-50)60-33-37-64-74-54(25-14-28-73(74)90-84(64)80(60)86)49-29-38-72-65(40-49)63-36-32-59-69-44-51(53-22-8-7-21-52(53)46-17-5-2-6-18-46)43-68-58-31-35-62-56-24-10-12-27-71(56)88-82(62)78(58)85(76(68)69)79(59)83(63)89-72/h1-44H.

What are the key properties of 17-(2-phenylphenyl)-8-[17-(3-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-9-yl]-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5(10),6,8,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene?

17-(2-phenylphenyl)-8-[17-(3-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-9-yl]-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5(10),6,8,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene has a molecular weight of 1145.29 g/mol, XLogP of 23.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 17-(2-phenylphenyl)-8-[17-(3-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-9-yl]-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5(10),6,8,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene is sourced from PubChem (CID 155221608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).