[2-(3,5-diphenylphenyl)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'-yl]-phenylmethanone

C56H34O — CID 88558299

About [2-(3,5-diphenylphenyl)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'-yl]-phenylmethanone

[2-(3,5-diphenylphenyl)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'-yl]-phenylmethanone (PubChem CID 88558299) has the molecular formula C56H34O and a molecular weight of 722.89 g/mol. Its IUPAC name is [2-(3,5-diphenylphenyl)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'-yl]-phenylmethanone.

Molecular Properties

• Compound Name: [2-(3,5-diphenylphenyl)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'-yl]-phenylmethanone
• PubChem CID: 88558299
• Molecular Formula: C56H34O
• Molecular Weight: 722.89 g/mol
• Exact Mass: 722.26
• IUPAC Name: [2-(3,5-diphenylphenyl)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'-yl]-phenylmethanone
• SMILES: O=C(c1ccccc1)c1ccc2c(c1)c1cccc3c1c1c(cccc21)C31c2ccccc2-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc21
• InChI: InChI=1S/C56H34O/c57-55(37-18-8-3-9-19-37)39-27-28-43-46-21-12-24-50-53(46)54-47(48(43)33-39)22-13-25-51(54)56(50)49-23-11-10-20-44(49)45-29-26-38(34-52(45)56)42-31-40(35-14-4-1-5-15-35)30-41(32-42)36-16-6-2-7-17-36/h1-34H
• InChIKey: UXTSLOUEMJPKNJ-UHFFFAOYSA-N
• XLogP: 14.05
• TPSA: 17.07 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.89
LogP ≤ 5	14.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-diphenylphenyl)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'-yl]-phenylmethanone?

The IUPAC name of [2-(3,5-diphenylphenyl)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'-yl]-phenylmethanone (CID 88558299) is [2-(3,5-diphenylphenyl)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'-yl]-phenylmethanone.

What is the SMILES notation for [2-(3,5-diphenylphenyl)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'-yl]-phenylmethanone?

The canonical SMILES for [2-(3,5-diphenylphenyl)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'-yl]-phenylmethanone is O=C(c1ccccc1)c1ccc2c(c1)c1cccc3c1c1c(cccc21)C31c2ccccc2-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc21.

What is the InChIKey of [2-(3,5-diphenylphenyl)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'-yl]-phenylmethanone?

The InChIKey is UXTSLOUEMJPKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34O/c57-55(37-18-8-3-9-19-37)39-27-28-43-46-21-12-24-50-53(46)54-47(48(43)33-39)22-13-25-51(54)56(50)49-23-11-10-20-44(49)45-29-26-38(34-52(45)56)42-31-40(35-14-4-1-5-15-35)30-41(32-42)36-16-6-2-7-17-36/h1-34H.

What are the key properties of [2-(3,5-diphenylphenyl)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'-yl]-phenylmethanone?

[2-(3,5-diphenylphenyl)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'-yl]-phenylmethanone has a molecular weight of 722.89 g/mol, XLogP of 14.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3,5-diphenylphenyl)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'-yl]-phenylmethanone is sourced from PubChem (CID 88558299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).