5-N',20-N'-bis(6-tert-butyldibenzofuran-4-yl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine

C81H60N2O2 — CID 137492805

About 5-N',20-N'-bis(6-tert-butyldibenzofuran-4-yl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine

5-N',20-N'-bis(6-tert-butyldibenzofuran-4-yl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine (PubChem CID 137492805) has the molecular formula C81H60N2O2 and a molecular weight of 1093.38 g/mol. Its IUPAC name is 5-N',20-N'-bis(6-tert-butyldibenzofuran-4-yl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine.

Molecular Properties

• Compound Name: 5-N',20-N'-bis(6-tert-butyldibenzofuran-4-yl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine
• PubChem CID: 137492805
• Molecular Formula: C81H60N2O2
• Molecular Weight: 1093.38 g/mol
• Exact Mass: 1092.47
• IUPAC Name: 5-N',20-N'-bis(6-tert-butyldibenzofuran-4-yl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine
• SMILES: CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c5c(ccc4c3)-c3c(c4ccc(N(c6ccccc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)cc4c4ccccc34)C53c4ccccc4-c4ccccc43)cccc12
• InChI: InChI=1S/C81H60N2O2/c1-79(2,3)68-37-19-31-60-62-33-21-39-70(77(62)84-75(60)68)82(50-23-9-7-10-24-50)52-42-45-54-49(47-52)41-44-64-72-58-30-14-13-27-55(58)65-48-53(43-46-59(65)74(72)81(73(54)64)66-35-17-15-28-56(66)57-29-16-18-36-67(57)81)83(51-25-11-8-12-26-51)71-40-22-34-63-61-32-20-38-69(80(4,5)6)76(61)85-78(63)71/h7-48H,1-6H3
• InChIKey: XRGJLRFEXUYZGO-UHFFFAOYSA-N
• XLogP: 22.82
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1093.38
LogP ≤ 5	22.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-N',20-N'-bis(6-tert-butyldibenzofuran-4-yl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine?

The IUPAC name of 5-N',20-N'-bis(6-tert-butyldibenzofuran-4-yl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine (CID 137492805) is 5-N',20-N'-bis(6-tert-butyldibenzofuran-4-yl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine.

What is the SMILES notation for 5-N',20-N'-bis(6-tert-butyldibenzofuran-4-yl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine?

The canonical SMILES for 5-N',20-N'-bis(6-tert-butyldibenzofuran-4-yl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine is CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c5c(ccc4c3)-c3c(c4ccc(N(c6ccccc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)cc4c4ccccc34)C53c4ccccc4-c4ccccc43)cccc12.

What is the InChIKey of 5-N',20-N'-bis(6-tert-butyldibenzofuran-4-yl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine?

The InChIKey is XRGJLRFEXUYZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H60N2O2/c1-79(2,3)68-37-19-31-60-62-33-21-39-70(77(62)84-75(60)68)82(50-23-9-7-10-24-50)52-42-45-54-49(47-52)41-44-64-72-58-30-14-13-27-55(58)65-48-53(43-46-59(65)74(72)81(73(54)64)66-35-17-15-28-56(66)57-29-16-18-36-67(57)81)83(51-25-11-8-12-26-51)71-40-22-34-63-61-32-20-38-69(80(4,5)6)76(61)85-78(63)71/h7-48H,1-6H3.

What are the key properties of 5-N',20-N'-bis(6-tert-butyldibenzofuran-4-yl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine?

5-N',20-N'-bis(6-tert-butyldibenzofuran-4-yl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine has a molecular weight of 1093.38 g/mol, XLogP of 22.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N',20-N'-bis(6-tert-butyldibenzofuran-4-yl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine is sourced from PubChem (CID 137492805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).