17-(3,5-dimethyl-4-propan-2-ylphenyl)-25-[17-[3,5-di(propan-2-yl)phenyl]-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-pentadecaen-8-yl]-8-[17-(3-methylphenyl)-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(33),16,18,20(32),21,23(31),24,26,28-pentadecaene

C120H77N3O6 — CID 146369931

About 17-(3,5-dimethyl-4-propan-2-ylphenyl)-25-[17-[3,5-di(propan-2-yl)phenyl]-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-pentadecaen-8-yl]-8-[17-(3-methylphenyl)-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(33),16,18,20(32),21,23(31),24,26,28-pentadecaene

17-(3,5-dimethyl-4-propan-2-ylphenyl)-25-[17-[3,5-di(propan-2-yl)phenyl]-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-pentadecaen-8-yl]-8-[17-(3-methylphenyl)-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(33),16,18,20(32),21,23(31),24,26,28-pentadecaene (PubChem CID 146369931) has the molecular formula C120H77N3O6 and a molecular weight of 1656.95 g/mol. Its IUPAC name is 17-(3,5-dimethyl-4-propan-2-ylphenyl)-25-[17-[3,5-di(propan-2-yl)phenyl]-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-pentadecaen-8-yl]-8-[17-(3-methylphenyl)-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(33),16,18,20(32),21,23(31),24,26,28-pentadecaene.

Molecular Properties

• Compound Name: 17-(3,5-dimethyl-4-propan-2-ylphenyl)-25-[17-[3,5-di(propan-2-yl)phenyl]-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-pentadecaen-8-yl]-8-[17-(3-methylphenyl)-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(33),16,18,20(32),21,23(31),24,26,28-pentadecaene
• PubChem CID: 146369931
• Molecular Formula: C120H77N3O6
• Molecular Weight: 1656.95 g/mol
• Exact Mass: 1655.58
• IUPAC Name: 17-(3,5-dimethyl-4-propan-2-ylphenyl)-25-[17-[3,5-di(propan-2-yl)phenyl]-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-pentadecaen-8-yl]-8-[17-(3-methylphenyl)-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(33),16,18,20(32),21,23(31),24,26,28-pentadecaene
• SMILES: Cc1cccc(-c2cc3c4ccc5c6ccccc6oc5c4n4c3c(c2)c2ccc3c(oc5cccc(-c6ccc7oc8c(ccc9c%10cc(-c%11cc(C)c(C(C)C)c(C)c%11)cc%11c%12ccc%13c(oc%14cccc(-c%15ccc%16oc%17c(ccc%18c%19cc(-c%20cc(C(C)C)cc(C(C)C)c%20)cc%20c%21ccc%22c%23ccccc%23oc%22c%21n(c%20%19)c%18%17)c%16c%15)c%14%13)c%12n(c%10%11)c98)c7c6)c53)c24)c1
• InChI: InChI=1S/C120H77N3O6/c1-57(2)66-46-67(58(3)4)48-69(47-66)72-55-95-78-30-36-83-75-19-10-12-23-97(75)124-115(83)109(78)121-107(95)96(56-72)80-32-38-85-89-49-64(27-41-99(89)126-117(85)111(80)121)74-22-16-26-102-105(74)88-40-34-82-94-54-71(68-44-61(8)103(59(5)6)62(9)45-68)53-93-79-31-37-86-90-50-65(28-42-100(90)127-118(86)112(79)123(108(93)94)114(82)120(88)129-102)73-21-15-25-101-104(73)87-39-33-81-92-52-70(63-18-14-17-60(7)43-63)51-91-77-29-35-84-76-20-11-13-24-98(76)125-116(84)110(77)122(106(91)92)113(81)119(87)128-101/h10-59H,1-9H3
• InChIKey: MHYIKJNCDJAAME-UHFFFAOYSA-N
• XLogP: 35.16
• TPSA: 92.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1656.95
LogP ≤ 5	35.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 17-(3,5-dimethyl-4-propan-2-ylphenyl)-25-[17-[3,5-di(propan-2-yl)phenyl]-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-pentadecaen-8-yl]-8-[17-(3-methylphenyl)-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(33),16,18,20(32),21,23(31),24,26,28-pentadecaene?

The IUPAC name of 17-(3,5-dimethyl-4-propan-2-ylphenyl)-25-[17-[3,5-di(propan-2-yl)phenyl]-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-pentadecaen-8-yl]-8-[17-(3-methylphenyl)-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(33),16,18,20(32),21,23(31),24,26,28-pentadecaene (CID 146369931) is 17-(3,5-dimethyl-4-propan-2-ylphenyl)-25-[17-[3,5-di(propan-2-yl)phenyl]-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-pentadecaen-8-yl]-8-[17-(3-methylphenyl)-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(33),16,18,20(32),21,23(31),24,26,28-pentadecaene.

What is the SMILES notation for 17-(3,5-dimethyl-4-propan-2-ylphenyl)-25-[17-[3,5-di(propan-2-yl)phenyl]-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-pentadecaen-8-yl]-8-[17-(3-methylphenyl)-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(33),16,18,20(32),21,23(31),24,26,28-pentadecaene?

The canonical SMILES for 17-(3,5-dimethyl-4-propan-2-ylphenyl)-25-[17-[3,5-di(propan-2-yl)phenyl]-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-pentadecaen-8-yl]-8-[17-(3-methylphenyl)-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(33),16,18,20(32),21,23(31),24,26,28-pentadecaene is Cc1cccc(-c2cc3c4ccc5c6ccccc6oc5c4n4c3c(c2)c2ccc3c(oc5cccc(-c6ccc7oc8c(ccc9c%10cc(-c%11cc(C)c(C(C)C)c(C)c%11)cc%11c%12ccc%13c(oc%14cccc(-c%15ccc%16oc%17c(ccc%18c%19cc(-c%20cc(C(C)C)cc(C(C)C)c%20)cc%20c%21ccc%22c%23ccccc%23oc%22c%21n(c%20%19)c%18%17)c%16c%15)c%14%13)c%12n(c%10%11)c98)c7c6)c53)c24)c1.

What is the InChIKey of 17-(3,5-dimethyl-4-propan-2-ylphenyl)-25-[17-[3,5-di(propan-2-yl)phenyl]-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-pentadecaen-8-yl]-8-[17-(3-methylphenyl)-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(33),16,18,20(32),21,23(31),24,26,28-pentadecaene?

The InChIKey is MHYIKJNCDJAAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H77N3O6/c1-57(2)66-46-67(58(3)4)48-69(47-66)72-55-95-78-30-36-83-75-19-10-12-23-97(75)124-115(83)109(78)121-107(95)96(56-72)80-32-38-85-89-49-64(27-41-99(89)126-117(85)111(80)121)74-22-16-26-102-105(74)88-40-34-82-94-54-71(68-44-61(8)103(59(5)6)62(9)45-68)53-93-79-31-37-86-90-50-65(28-42-100(90)127-118(86)112(79)123(108(93)94)114(82)120(88)129-102)73-21-15-25-101-104(73)87-39-33-81-92-52-70(63-18-14-17-60(7)43-63)51-91-77-29-35-84-76-20-11-13-24-98(76)125-116(84)110(77)122(106(91)92)113(81)119(87)128-101/h10-59H,1-9H3.

What are the key properties of 17-(3,5-dimethyl-4-propan-2-ylphenyl)-25-[17-[3,5-di(propan-2-yl)phenyl]-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-pentadecaen-8-yl]-8-[17-(3-methylphenyl)-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(33),16,18,20(32),21,23(31),24,26,28-pentadecaene?

17-(3,5-dimethyl-4-propan-2-ylphenyl)-25-[17-[3,5-di(propan-2-yl)phenyl]-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-pentadecaen-8-yl]-8-[17-(3-methylphenyl)-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(33),16,18,20(32),21,23(31),24,26,28-pentadecaene has a molecular weight of 1656.95 g/mol, XLogP of 35.16, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 17-(3,5-dimethyl-4-propan-2-ylphenyl)-25-[17-[3,5-di(propan-2-yl)phenyl]-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-pentadecaen-8-yl]-8-[17-(3-methylphenyl)-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(33),16,18,20(32),21,23(31),24,26,28-pentadecaene is sourced from PubChem (CID 146369931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).