6-(N-[15'-(N-(6-cyanodibenzofuran-4-yl)-4-trimethylsilylanilino)-10-phenylspiro[acridine-9,12'-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'-yl]-4-trimethylsilylanilino)dibenzofuran-4-carbonitrile

C83H61N5O2Si2 — CID 164736079

About 6-(N-[15'-(N-(6-cyanodibenzofuran-4-yl)-4-trimethylsilylanilino)-10-phenylspiro[acridine-9,12'-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'-yl]-4-trimethylsilylanilino)dibenzofuran-4-carbonitrile

6-(N-[15'-(N-(6-cyanodibenzofuran-4-yl)-4-trimethylsilylanilino)-10-phenylspiro[acridine-9,12'-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'-yl]-4-trimethylsilylanilino)dibenzofuran-4-carbonitrile (PubChem CID 164736079) has the molecular formula C83H61N5O2Si2 and a molecular weight of 1216.61 g/mol. Its IUPAC name is 6-(N-[15'-(N-(6-cyanodibenzofuran-4-yl)-4-trimethylsilylanilino)-10-phenylspiro[acridine-9,12'-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'-yl]-4-trimethylsilylanilino)dibenzofuran-4-carbonitrile.

Molecular Properties

• Compound Name: 6-(N-[15'-(N-(6-cyanodibenzofuran-4-yl)-4-trimethylsilylanilino)-10-phenylspiro[acridine-9,12'-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'-yl]-4-trimethylsilylanilino)dibenzofuran-4-carbonitrile
• PubChem CID: 164736079
• Molecular Formula: C83H61N5O2Si2
• Molecular Weight: 1216.61 g/mol
• Exact Mass: 1215.44
• IUPAC Name: 6-(N-[15'-(N-(6-cyanodibenzofuran-4-yl)-4-trimethylsilylanilino)-10-phenylspiro[acridine-9,12'-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'-yl]-4-trimethylsilylanilino)dibenzofuran-4-carbonitrile
• SMILES: C[Si](C)(C)c1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc([Si](C)(C)C)cc4)c4cccc5c4oc4c(C#N)cccc45)c4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)c2cccc3c2oc2c(C#N)cccc23)cc1
• InChI: InChI=1S/C83H61N5O2Si2/c1-91(2,3)57-44-40-55(41-45-57)87(73-38-20-32-65-63-30-18-22-52(50-84)79(63)89-81(65)73)75-48-69-77(61-28-12-10-26-59(61)75)78-62-29-13-11-27-60(62)76(49-70(78)83(69)67-34-14-16-36-71(67)86(54-24-8-7-9-25-54)72-37-17-15-35-68(72)83)88(56-42-46-58(47-43-56)92(4,5)6)74-39-21-33-66-64-31-19-23-53(51-85)80(64)90-82(66)74/h7-49H,1-6H3
• InChIKey: HODHAMMSVBEHSX-UHFFFAOYSA-N
• XLogP: 21.71
• TPSA: 83.58 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1216.61
LogP ≤ 5	21.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(N-[15'-(N-(6-cyanodibenzofuran-4-yl)-4-trimethylsilylanilino)-10-phenylspiro[acridine-9,12'-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'-yl]-4-trimethylsilylanilino)dibenzofuran-4-carbonitrile?

The IUPAC name of 6-(N-[15'-(N-(6-cyanodibenzofuran-4-yl)-4-trimethylsilylanilino)-10-phenylspiro[acridine-9,12'-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'-yl]-4-trimethylsilylanilino)dibenzofuran-4-carbonitrile (CID 164736079) is 6-(N-[15'-(N-(6-cyanodibenzofuran-4-yl)-4-trimethylsilylanilino)-10-phenylspiro[acridine-9,12'-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'-yl]-4-trimethylsilylanilino)dibenzofuran-4-carbonitrile.

What is the SMILES notation for 6-(N-[15'-(N-(6-cyanodibenzofuran-4-yl)-4-trimethylsilylanilino)-10-phenylspiro[acridine-9,12'-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'-yl]-4-trimethylsilylanilino)dibenzofuran-4-carbonitrile?

The canonical SMILES for 6-(N-[15'-(N-(6-cyanodibenzofuran-4-yl)-4-trimethylsilylanilino)-10-phenylspiro[acridine-9,12'-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'-yl]-4-trimethylsilylanilino)dibenzofuran-4-carbonitrile is C[Si](C)(C)c1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc([Si](C)(C)C)cc4)c4cccc5c4oc4c(C#N)cccc45)c4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)c2cccc3c2oc2c(C#N)cccc23)cc1.

What is the InChIKey of 6-(N-[15'-(N-(6-cyanodibenzofuran-4-yl)-4-trimethylsilylanilino)-10-phenylspiro[acridine-9,12'-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'-yl]-4-trimethylsilylanilino)dibenzofuran-4-carbonitrile?

The InChIKey is HODHAMMSVBEHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H61N5O2Si2/c1-91(2,3)57-44-40-55(41-45-57)87(73-38-20-32-65-63-30-18-22-52(50-84)79(63)89-81(65)73)75-48-69-77(61-28-12-10-26-59(61)75)78-62-29-13-11-27-60(62)76(49-70(78)83(69)67-34-14-16-36-71(67)86(54-24-8-7-9-25-54)72-37-17-15-35-68(72)83)88(56-42-46-58(47-43-56)92(4,5)6)74-39-21-33-66-64-31-19-23-53(51-85)80(64)90-82(66)74/h7-49H,1-6H3.

What are the key properties of 6-(N-[15'-(N-(6-cyanodibenzofuran-4-yl)-4-trimethylsilylanilino)-10-phenylspiro[acridine-9,12'-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'-yl]-4-trimethylsilylanilino)dibenzofuran-4-carbonitrile?

6-(N-[15'-(N-(6-cyanodibenzofuran-4-yl)-4-trimethylsilylanilino)-10-phenylspiro[acridine-9,12'-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'-yl]-4-trimethylsilylanilino)dibenzofuran-4-carbonitrile has a molecular weight of 1216.61 g/mol, XLogP of 21.71, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(N-[15'-(N-(6-cyanodibenzofuran-4-yl)-4-trimethylsilylanilino)-10-phenylspiro[acridine-9,12'-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'-yl]-4-trimethylsilylanilino)dibenzofuran-4-carbonitrile is sourced from PubChem (CID 164736079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).