6-(4-ethyl-N-(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)anilino)dibenzofuran-4-carbonitrile

C60H39N3O — CID 137417044

About 6-(4-ethyl-N-(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)anilino)dibenzofuran-4-carbonitrile

6-(4-ethyl-N-(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)anilino)dibenzofuran-4-carbonitrile (PubChem CID 137417044) has the molecular formula C60H39N3O and a molecular weight of 817.99 g/mol. Its IUPAC name is 6-(4-ethyl-N-(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)anilino)dibenzofuran-4-carbonitrile.

Molecular Properties

• Compound Name: 6-(4-ethyl-N-(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)anilino)dibenzofuran-4-carbonitrile
• PubChem CID: 137417044
• Molecular Formula: C60H39N3O
• Molecular Weight: 817.99 g/mol
• Exact Mass: 817.31
• IUPAC Name: 6-(4-ethyl-N-(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)anilino)dibenzofuran-4-carbonitrile
• SMILES: CCc1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)c2cccc3c2oc2c(C#N)cccc23)cc1
• InChI: InChI=1S/C60H39N3O/c1-2-38-30-33-42(34-31-38)63(54-29-15-24-47-46-23-14-17-40(37-61)58(46)64-59(47)54)55-36-51-57(45-22-9-8-21-44(45)55)56-43-20-7-6-16-39(43)32-35-50(56)60(51)48-25-10-12-27-52(48)62(41-18-4-3-5-19-41)53-28-13-11-26-49(53)60/h3-36H,2H2,1H3
• InChIKey: DGJPAFKZBYSTDD-UHFFFAOYSA-N
• XLogP: 15.94
• TPSA: 43.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.99
LogP ≤ 5	15.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-N-(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)anilino)dibenzofuran-4-carbonitrile?

The IUPAC name of 6-(4-ethyl-N-(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)anilino)dibenzofuran-4-carbonitrile (CID 137417044) is 6-(4-ethyl-N-(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)anilino)dibenzofuran-4-carbonitrile.

What is the SMILES notation for 6-(4-ethyl-N-(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)anilino)dibenzofuran-4-carbonitrile?

The canonical SMILES for 6-(4-ethyl-N-(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)anilino)dibenzofuran-4-carbonitrile is CCc1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)c2cccc3c2oc2c(C#N)cccc23)cc1.

What is the InChIKey of 6-(4-ethyl-N-(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)anilino)dibenzofuran-4-carbonitrile?

The InChIKey is DGJPAFKZBYSTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3O/c1-2-38-30-33-42(34-31-38)63(54-29-15-24-47-46-23-14-17-40(37-61)58(46)64-59(47)54)55-36-51-57(45-22-9-8-21-44(45)55)56-43-20-7-6-16-39(43)32-35-50(56)60(51)48-25-10-12-27-52(48)62(41-18-4-3-5-19-41)53-28-13-11-26-49(53)60/h3-36H,2H2,1H3.

What are the key properties of 6-(4-ethyl-N-(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)anilino)dibenzofuran-4-carbonitrile?

6-(4-ethyl-N-(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)anilino)dibenzofuran-4-carbonitrile has a molecular weight of 817.99 g/mol, XLogP of 15.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-ethyl-N-(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)anilino)dibenzofuran-4-carbonitrile is sourced from PubChem (CID 137417044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).