8'-[3-(3-spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-ylphenyl)phenyl]spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]

C74H42 — CID 123626063

About 8'-[3-(3-spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-ylphenyl)phenyl]spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]

8'-[3-(3-spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-ylphenyl)phenyl]spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene] (PubChem CID 123626063) has the molecular formula C74H42 and a molecular weight of 931.15 g/mol. Its IUPAC name is 8'-[3-(3-spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-ylphenyl)phenyl]spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene].

Molecular Properties

• Compound Name: 8'-[3-(3-spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-ylphenyl)phenyl]spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]
• PubChem CID: 123626063
• Molecular Formula: C74H42
• Molecular Weight: 931.15 g/mol
• Exact Mass: 930.33
• IUPAC Name: 8'-[3-(3-spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-ylphenyl)phenyl]spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]
• SMILES: c1cc(-c2cccc(-c3ccc4c(c3)c3cccc5c3c3c(cccc43)C53c4ccccc4-c4ccccc43)c2)cc(-c2ccc3c(c2)c2cccc4c2c2c(cccc32)C42c3ccccc3-c3ccccc32)c1
• InChI: InChI=1S/C74H42/c1-5-27-61-51(19-1)52-20-2-6-28-62(52)73(61)65-31-11-23-55-49-37-35-47(41-59(49)57-25-13-33-67(73)71(57)69(55)65)45-17-9-15-43(39-45)44-16-10-18-46(40-44)48-36-38-50-56-24-12-32-66-70(56)72-58(60(50)42-48)26-14-34-68(72)74(66)63-29-7-3-21-53(63)54-22-4-8-30-64(54)74/h1-42H
• InChIKey: STEJWXMWRSCDJA-UHFFFAOYSA-N
• XLogP: 18.96
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	931.15
LogP ≤ 5	18.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8'-[3-(3-spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-ylphenyl)phenyl]spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]?

The IUPAC name of 8'-[3-(3-spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-ylphenyl)phenyl]spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene] (CID 123626063) is 8'-[3-(3-spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-ylphenyl)phenyl]spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene].

What is the SMILES notation for 8'-[3-(3-spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-ylphenyl)phenyl]spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]?

The canonical SMILES for 8'-[3-(3-spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-ylphenyl)phenyl]spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene] is c1cc(-c2cccc(-c3ccc4c(c3)c3cccc5c3c3c(cccc43)C53c4ccccc4-c4ccccc43)c2)cc(-c2ccc3c(c2)c2cccc4c2c2c(cccc32)C42c3ccccc3-c3ccccc32)c1.

What is the InChIKey of 8'-[3-(3-spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-ylphenyl)phenyl]spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]?

The InChIKey is STEJWXMWRSCDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H42/c1-5-27-61-51(19-1)52-20-2-6-28-62(52)73(61)65-31-11-23-55-49-37-35-47(41-59(49)57-25-13-33-67(73)71(57)69(55)65)45-17-9-15-43(39-45)44-16-10-18-46(40-44)48-36-38-50-56-24-12-32-66-70(56)72-58(60(50)42-48)26-14-34-68(72)74(66)63-29-7-3-21-53(63)54-22-4-8-30-64(54)74/h1-42H.

What are the key properties of 8'-[3-(3-spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-ylphenyl)phenyl]spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]?

8'-[3-(3-spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-ylphenyl)phenyl]spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene] has a molecular weight of 931.15 g/mol, XLogP of 18.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 8'-[3-(3-spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-ylphenyl)phenyl]spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene] is sourced from PubChem (CID 123626063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).