7-N-(4a,9b-dihydrodibenzofuran-4-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-bis[4-(trifluoromethyl)phenyl]spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine

C75H44F6N2O2 — CID 134528962

About 7-N-(4a,9b-dihydrodibenzofuran-4-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-bis[4-(trifluoromethyl)phenyl]spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine

7-N-(4a,9b-dihydrodibenzofuran-4-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-bis[4-(trifluoromethyl)phenyl]spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine (PubChem CID 134528962) has the molecular formula C75H44F6N2O2 and a molecular weight of 1119.18 g/mol. Its IUPAC name is 7-N-(4a,9b-dihydrodibenzofuran-4-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-bis[4-(trifluoromethyl)phenyl]spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine.

Molecular Properties

• Compound Name: 7-N-(4a,9b-dihydrodibenzofuran-4-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-bis[4-(trifluoromethyl)phenyl]spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine
• PubChem CID: 134528962
• Molecular Formula: C75H44F6N2O2
• Molecular Weight: 1119.18 g/mol
• Exact Mass: 1118.33
• IUPAC Name: 7-N-(4a,9b-dihydrodibenzofuran-4-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-bis[4-(trifluoromethyl)phenyl]spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine
• SMILES: FC(F)(F)c1ccc(N(C2=CC=CC3c4ccccc4OC23)c2ccc3c(c2)C2(c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc42)c2cc(N(c4ccc(C(F)(F)F)cc4)c4cccc5c4oc4ccccc45)ccc2-3)cc1
• InChI: InChI=1S/C75H44F6N2O2/c76-74(77,78)43-27-31-45(32-28-43)82(67-23-11-20-58-56-18-6-9-25-69(56)84-71(58)67)47-35-37-54-55-38-36-48(83(46-33-29-44(30-34-46)75(79,80)81)68-24-12-21-59-57-19-7-10-26-70(57)85-72(59)68)40-65(55)73(64(54)39-47)63-22-8-5-17-53(63)62-41-60-51-15-3-1-13-49(51)50-14-2-4-16-52(50)61(60)42-66(62)73/h1-42,58,71H
• InChIKey: JCYPHHMUWLSFPA-UHFFFAOYSA-N
• XLogP: 21.03
• TPSA: 28.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1119.18
LogP ≤ 5	21.03
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 7-N-(4a,9b-dihydrodibenzofuran-4-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-bis[4-(trifluoromethyl)phenyl]spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine?

The IUPAC name of 7-N-(4a,9b-dihydrodibenzofuran-4-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-bis[4-(trifluoromethyl)phenyl]spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine (CID 134528962) is 7-N-(4a,9b-dihydrodibenzofuran-4-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-bis[4-(trifluoromethyl)phenyl]spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine.

What is the SMILES notation for 7-N-(4a,9b-dihydrodibenzofuran-4-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-bis[4-(trifluoromethyl)phenyl]spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine?

The canonical SMILES for 7-N-(4a,9b-dihydrodibenzofuran-4-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-bis[4-(trifluoromethyl)phenyl]spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine is FC(F)(F)c1ccc(N(C2=CC=CC3c4ccccc4OC23)c2ccc3c(c2)C2(c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc42)c2cc(N(c4ccc(C(F)(F)F)cc4)c4cccc5c4oc4ccccc45)ccc2-3)cc1.

What is the InChIKey of 7-N-(4a,9b-dihydrodibenzofuran-4-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-bis[4-(trifluoromethyl)phenyl]spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine?

The InChIKey is JCYPHHMUWLSFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H44F6N2O2/c76-74(77,78)43-27-31-45(32-28-43)82(67-23-11-20-58-56-18-6-9-25-69(56)84-71(58)67)47-35-37-54-55-38-36-48(83(46-33-29-44(30-34-46)75(79,80)81)68-24-12-21-59-57-19-7-10-26-70(57)85-72(59)68)40-65(55)73(64(54)39-47)63-22-8-5-17-53(63)62-41-60-51-15-3-1-13-49(51)50-14-2-4-16-52(50)61(60)42-66(62)73/h1-42,58,71H.

What are the key properties of 7-N-(4a,9b-dihydrodibenzofuran-4-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-bis[4-(trifluoromethyl)phenyl]spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine?

7-N-(4a,9b-dihydrodibenzofuran-4-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-bis[4-(trifluoromethyl)phenyl]spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine has a molecular weight of 1119.18 g/mol, XLogP of 21.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-(4a,9b-dihydrodibenzofuran-4-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-bis[4-(trifluoromethyl)phenyl]spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine is sourced from PubChem (CID 134528962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).