9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)-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',15'-diamine

C79H55N3O2 — CID 137416165

About 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)-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',15'-diamine

9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)-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',15'-diamine (PubChem CID 137416165) has the molecular formula C79H55N3O2 and a molecular weight of 1078.33 g/mol. Its IUPAC name is 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)-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',15'-diamine.

Molecular Properties

• Compound Name: 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)-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',15'-diamine
• PubChem CID: 137416165
• Molecular Formula: C79H55N3O2
• Molecular Weight: 1078.33 g/mol
• Exact Mass: 1077.43
• IUPAC Name: 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)-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',15'-diamine
• SMILES: Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)cc4)c4cccc5c4oc4c(C)cccc45)c4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)c2cccc3c2oc2c(C)cccc23)cc1
• InChI: InChI=1S/C79H55N3O2/c1-48-38-42-53(43-39-48)81(69-36-18-30-61-59-28-16-20-50(3)75(59)83-77(61)69)71-46-65-73(57-26-10-8-24-55(57)71)74-58-27-11-9-25-56(58)72(82(54-44-40-49(2)41-45-54)70-37-19-31-62-60-29-17-21-51(4)76(60)84-78(62)70)47-66(74)79(65)63-32-12-14-34-67(63)80(52-22-6-5-7-23-52)68-35-15-13-33-64(68)79/h5-47H,1-4H3
• InChIKey: HPOYWWAVEYTQQW-UHFFFAOYSA-N
• XLogP: 22.11
• TPSA: 36.00 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1078.33
LogP ≤ 5	22.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)-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',15'-diamine?

The IUPAC name of 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)-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',15'-diamine (CID 137416165) is 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)-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',15'-diamine.

What is the SMILES notation for 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)-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',15'-diamine?

The canonical SMILES for 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)-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',15'-diamine is Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)cc4)c4cccc5c4oc4c(C)cccc45)c4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)c2cccc3c2oc2c(C)cccc23)cc1.

What is the InChIKey of 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)-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',15'-diamine?

The InChIKey is HPOYWWAVEYTQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H55N3O2/c1-48-38-42-53(43-39-48)81(69-36-18-30-61-59-28-16-20-50(3)75(59)83-77(61)69)71-46-65-73(57-26-10-8-24-55(57)71)74-58-27-11-9-25-56(58)72(82(54-44-40-49(2)41-45-54)70-37-19-31-62-60-29-17-21-51(4)76(60)84-78(62)70)47-66(74)79(65)63-32-12-14-34-67(63)80(52-22-6-5-7-23-52)68-35-15-13-33-64(68)79/h5-47H,1-4H3.

What are the key properties of 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)-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',15'-diamine?

9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)-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',15'-diamine has a molecular weight of 1078.33 g/mol, XLogP of 22.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)-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',15'-diamine is sourced from PubChem (CID 137416165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).