[7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone

C77H46O2 — CID 88890935

About [7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone

[7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone (PubChem CID 88890935) has the molecular formula C77H46O2 and a molecular weight of 1003.21 g/mol. Its IUPAC name is [7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone.

Molecular Properties

• Compound Name: [7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
• PubChem CID: 88890935
• Molecular Formula: C77H46O2
• Molecular Weight: 1003.21 g/mol
• Exact Mass: 1002.35
• IUPAC Name: [7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
• SMILES: O=C(c1ccc2c(c1)C1(C3=C(CCC=C3)c3ccccc31)c1cc(C(=O)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
• InChI: InChI=1S/C77H46O2/c78-73(45-33-37-57-55-23-7-13-29-65(55)75(69(57)41-45)61-25-9-1-17-49(61)50-18-2-10-26-62(50)75)47-35-39-59-60-40-36-48(44-72(60)77(71(59)43-47)67-31-15-5-21-53(67)54-22-6-16-32-68(54)77)74(79)46-34-38-58-56-24-8-14-30-66(56)76(70(58)42-46)63-27-11-3-19-51(63)52-20-4-12-28-64(52)76/h1-5,7-21,23-44H,6,22H2
• InChIKey: GFDSHVFCNFAUIU-UHFFFAOYSA-N
• XLogP: 17.27
• TPSA: 34.14 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.21
LogP ≤ 5	17.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone?

The IUPAC name of [7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone (CID 88890935) is [7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone.

What is the SMILES notation for [7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone?

The canonical SMILES for [7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone is O=C(c1ccc2c(c1)C1(C3=C(CCC=C3)c3ccccc31)c1cc(C(=O)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.

What is the InChIKey of [7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone?

The InChIKey is GFDSHVFCNFAUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H46O2/c78-73(45-33-37-57-55-23-7-13-29-65(55)75(69(57)41-45)61-25-9-1-17-49(61)50-18-2-10-26-62(50)75)47-35-39-59-60-40-36-48(44-72(60)77(71(59)43-47)67-31-15-5-21-53(67)54-22-6-16-32-68(54)77)74(79)46-34-38-58-56-24-8-14-30-66(56)76(70(58)42-46)63-27-11-3-19-51(63)52-20-4-12-28-64(52)76/h1-5,7-21,23-44H,6,22H2.

What are the key properties of [7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone?

[7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone has a molecular weight of 1003.21 g/mol, XLogP of 17.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone is sourced from PubChem (CID 88890935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).