[4-[(6-fluorodibenzofuran-4-yl)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylamino]phenyl]-trimethylsilanuide

C60H42FN2OSi- — CID 147788263

About [4-[(6-fluorodibenzofuran-4-yl)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylamino]phenyl]-trimethylsilanuide

[4-[(6-fluorodibenzofuran-4-yl)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylamino]phenyl]-trimethylsilanuide (PubChem CID 147788263) has the molecular formula C60H42FN2OSi- and a molecular weight of 854.09 g/mol. Its IUPAC name is [4-[(6-fluorodibenzofuran-4-yl)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylamino]phenyl]-trimethylsilanuide.

Molecular Properties

• Compound Name: [4-[(6-fluorodibenzofuran-4-yl)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylamino]phenyl]-trimethylsilanuide
• PubChem CID: 147788263
• Molecular Formula: C60H42FN2OSi-
• Molecular Weight: 854.09 g/mol
• Exact Mass: 853.31
• IUPAC Name: [4-[(6-fluorodibenzofuran-4-yl)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylamino]phenyl]-trimethylsilanuide
• SMILES: C[SiH-](C)(C)c1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(F)cccc23)cc1
• InChI: InChI=1S/C60H42FN2OSi/c1-65(2,3)38-32-30-37(31-33-38)62(53-28-14-22-45-44-21-13-25-50(61)58(44)64-59(45)53)54-35-49-56(42-19-7-6-17-40(42)54)55-39-16-5-4-15-36(39)29-34-47(55)60(49)46-23-9-11-27-52(46)63-51-26-10-8-18-41(51)43-20-12-24-48(60)57(43)63/h4-35,65H,1-3H3/q-1
• InChIKey: HJCSTYHKRYXEAP-UHFFFAOYSA-N
• XLogP: 15.55
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.09
LogP ≤ 5	15.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[(6-fluorodibenzofuran-4-yl)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylamino]phenyl]-trimethylsilanuide?

The IUPAC name of [4-[(6-fluorodibenzofuran-4-yl)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylamino]phenyl]-trimethylsilanuide (CID 147788263) is [4-[(6-fluorodibenzofuran-4-yl)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylamino]phenyl]-trimethylsilanuide.

What is the SMILES notation for [4-[(6-fluorodibenzofuran-4-yl)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylamino]phenyl]-trimethylsilanuide?

The canonical SMILES for [4-[(6-fluorodibenzofuran-4-yl)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylamino]phenyl]-trimethylsilanuide is C[SiH-](C)(C)c1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2c(F)cccc23)cc1.

What is the InChIKey of [4-[(6-fluorodibenzofuran-4-yl)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylamino]phenyl]-trimethylsilanuide?

The InChIKey is HJCSTYHKRYXEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42FN2OSi/c1-65(2,3)38-32-30-37(31-33-38)62(53-28-14-22-45-44-21-13-25-50(61)58(44)64-59(45)53)54-35-49-56(42-19-7-6-17-40(42)54)55-39-16-5-4-15-36(39)29-34-47(55)60(49)46-23-9-11-27-52(46)63-51-26-10-8-18-41(51)43-20-12-24-48(60)57(43)63/h4-35,65H,1-3H3/q-1.

What are the key properties of [4-[(6-fluorodibenzofuran-4-yl)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylamino]phenyl]-trimethylsilanuide?

[4-[(6-fluorodibenzofuran-4-yl)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylamino]phenyl]-trimethylsilanuide has a molecular weight of 854.09 g/mol, XLogP of 15.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(6-fluorodibenzofuran-4-yl)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylamino]phenyl]-trimethylsilanuide is sourced from PubChem (CID 147788263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).