20-[(Z)-2-(6-tert-butyldibenzofuran-4-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]-15-propan-2-yl-7-[1-[4-(trifluoromethoxy)phenyl]ethyl]-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13(18),14,16,19,21-undecaene

C60H47F6NO3 — CID 139573409

About 20-[(Z)-2-(6-tert-butyldibenzofuran-4-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]-15-propan-2-yl-7-[1-[4-(trifluoromethoxy)phenyl]ethyl]-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13(18),14,16,19,21-undecaene

20-[(Z)-2-(6-tert-butyldibenzofuran-4-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]-15-propan-2-yl-7-[1-[4-(trifluoromethoxy)phenyl]ethyl]-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13(18),14,16,19,21-undecaene (PubChem CID 139573409) has the molecular formula C60H47F6NO3 and a molecular weight of 944.03 g/mol. Its IUPAC name is 20-[(Z)-2-(6-tert-butyldibenzofuran-4-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]-15-propan-2-yl-7-[1-[4-(trifluoromethoxy)phenyl]ethyl]-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13(18),14,16,19,21-undecaene.

Molecular Properties

• Compound Name: 20-[(Z)-2-(6-tert-butyldibenzofuran-4-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]-15-propan-2-yl-7-[1-[4-(trifluoromethoxy)phenyl]ethyl]-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13(18),14,16,19,21-undecaene
• PubChem CID: 139573409
• Molecular Formula: C60H47F6NO3
• Molecular Weight: 944.03 g/mol
• Exact Mass: 943.35
• IUPAC Name: 20-[(Z)-2-(6-tert-butyldibenzofuran-4-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]-15-propan-2-yl-7-[1-[4-(trifluoromethoxy)phenyl]ethyl]-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13(18),14,16,19,21-undecaene
• SMILES: CC(C)c1ccc2c3c(C/C(=C/c4ccc(OC(F)(F)F)cc4)c4cccc5c4oc4c(C(C)(C)C)cccc45)ccc4c5cc6ccc(C(C)c7ccc(OC(F)(F)F)cc7)cc6cc5n(c2c1)c43
• InChI: InChI=1S/C60H47F6NO3/c1-33(2)37-19-26-49-52(31-37)67-53-32-41-28-38(34(3)36-17-23-44(24-18-36)70-60(64,65)66)15-16-39(41)30-50(53)46-25-20-40(54(49)55(46)67)29-42(27-35-13-21-43(22-14-35)69-59(61,62)63)45-9-7-10-47-48-11-8-12-51(58(4,5)6)57(48)68-56(45)47/h7-28,30-34H,29H2,1-6H3/b42-27-
• InChIKey: DBFHDBMNZNYMDQ-MKUMZIATSA-N
• XLogP: 18.04
• TPSA: 36.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	944.03
LogP ≤ 5	18.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 20-[(Z)-2-(6-tert-butyldibenzofuran-4-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]-15-propan-2-yl-7-[1-[4-(trifluoromethoxy)phenyl]ethyl]-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13(18),14,16,19,21-undecaene?

The IUPAC name of 20-[(Z)-2-(6-tert-butyldibenzofuran-4-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]-15-propan-2-yl-7-[1-[4-(trifluoromethoxy)phenyl]ethyl]-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13(18),14,16,19,21-undecaene (CID 139573409) is 20-[(Z)-2-(6-tert-butyldibenzofuran-4-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]-15-propan-2-yl-7-[1-[4-(trifluoromethoxy)phenyl]ethyl]-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13(18),14,16,19,21-undecaene.

What is the SMILES notation for 20-[(Z)-2-(6-tert-butyldibenzofuran-4-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]-15-propan-2-yl-7-[1-[4-(trifluoromethoxy)phenyl]ethyl]-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13(18),14,16,19,21-undecaene?

The canonical SMILES for 20-[(Z)-2-(6-tert-butyldibenzofuran-4-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]-15-propan-2-yl-7-[1-[4-(trifluoromethoxy)phenyl]ethyl]-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13(18),14,16,19,21-undecaene is CC(C)c1ccc2c3c(C/C(=C/c4ccc(OC(F)(F)F)cc4)c4cccc5c4oc4c(C(C)(C)C)cccc45)ccc4c5cc6ccc(C(C)c7ccc(OC(F)(F)F)cc7)cc6cc5n(c2c1)c43.

What is the InChIKey of 20-[(Z)-2-(6-tert-butyldibenzofuran-4-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]-15-propan-2-yl-7-[1-[4-(trifluoromethoxy)phenyl]ethyl]-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13(18),14,16,19,21-undecaene?

The InChIKey is DBFHDBMNZNYMDQ-MKUMZIATSA-N. The full InChI is InChI=1S/C60H47F6NO3/c1-33(2)37-19-26-49-52(31-37)67-53-32-41-28-38(34(3)36-17-23-44(24-18-36)70-60(64,65)66)15-16-39(41)30-50(53)46-25-20-40(54(49)55(46)67)29-42(27-35-13-21-43(22-14-35)69-59(61,62)63)45-9-7-10-47-48-11-8-12-51(58(4,5)6)57(48)68-56(45)47/h7-28,30-34H,29H2,1-6H3/b42-27-.

What are the key properties of 20-[(Z)-2-(6-tert-butyldibenzofuran-4-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]-15-propan-2-yl-7-[1-[4-(trifluoromethoxy)phenyl]ethyl]-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13(18),14,16,19,21-undecaene?

20-[(Z)-2-(6-tert-butyldibenzofuran-4-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]-15-propan-2-yl-7-[1-[4-(trifluoromethoxy)phenyl]ethyl]-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13(18),14,16,19,21-undecaene has a molecular weight of 944.03 g/mol, XLogP of 18.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 20-[(Z)-2-(6-tert-butyldibenzofuran-4-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]-15-propan-2-yl-7-[1-[4-(trifluoromethoxy)phenyl]ethyl]-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13(18),14,16,19,21-undecaene is sourced from PubChem (CID 139573409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).