spiro[4,4a,5,6-tetrahydrofluorene-9,9'-fluorene]-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone

C51H34O — CID 146409948

IUPACspiro[4,4a,5,6-tetrahydrofluorene-9,9'-fluorene]-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone
SMILESO=C(C1=CCC2C(=C1)C1(C3=C2CCC=C3)c2ccccc2-c2ccccc21)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C51H34O/c52-49(31-25-27-39-37-17-5-11-23-45(37)50(47(39)29-31)41-19-7-1-13-33(41)34-14-2-8-20-42(34)50)32-26-28-40-38-18-6-12-24-46(38)51(48(40)30-32)43-21-9-3-15-35(43)36-16-4-10-22-44(36)51/h1-5,7-17,19-27,29-30,40H,6,18,28H2
InChIKeyMJHDSIQITPWOCM-UHFFFAOYSA-N
MW662.83 g/mol
LogP11.71
Rot. Bonds2

About spiro[4,4a,5,6-tetrahydrofluorene-9,9'-fluorene]-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone

spiro[4,4a,5,6-tetrahydrofluorene-9,9'-fluorene]-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone (PubChem CID 146409948) has the molecular formula C51H34O and a molecular weight of 662.83 g/mol. Its IUPAC name is spiro[4,4a,5,6-tetrahydrofluorene-9,9'-fluorene]-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone.

Molecular Properties

Compound Namespiro[4,4a,5,6-tetrahydrofluorene-9,9'-fluorene]-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone
PubChem CID146409948
Molecular FormulaC51H34O
Molecular Weight662.83 g/mol
Exact Mass662.26
IUPAC Namespiro[4,4a,5,6-tetrahydrofluorene-9,9'-fluorene]-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone
SMILESO=C(C1=CCC2C(=C1)C1(C3=C2CCC=C3)c2ccccc2-c2ccccc21)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C51H34O/c52-49(31-25-27-39-37-17-5-11-23-45(37)50(47(39)29-31)41-19-7-1-13-33(41)34-14-2-8-20-42(34)50)32-26-28-40-38-18-6-12-24-46(38)51(48(40)30-32)43-21-9-3-15-35(43)36-16-4-10-22-44(36)51/h1-5,7-17,19-27,29-30,40H,6,18,28H2
InChIKeyMJHDSIQITPWOCM-UHFFFAOYSA-N
XLogP11.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.83
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[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
[3'-[9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthren-3-yl]spiro[4,4a-dihydrofluorene-9,9'-fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 129179007
cyclohexa-1,5-dien-1-yl-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]methanone
CID 123732928
9H-fluoren-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone
CID 146631569
1,4-bis(9,9'-spirobi[fluorene]-2-yl)but-2-ene-1,4-dione
CID 76648229
dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate
CID 634796
CID 59217319
CID 59217319
[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(7'-propan-2-yl-9,9'-spirobi[fluorene]-2'-yl)methanone
CID 123664504
[10,15-bis(N-phenylanilino)tetraphenylen-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 89495721
[2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 129129835
N'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide
CID 166990759
2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene]
CID 153369638

Frequently Asked Questions

What is the IUPAC name of spiro[4,4a,5,6-tetrahydrofluorene-9,9'-fluorene]-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone?
The IUPAC name of spiro[4,4a,5,6-tetrahydrofluorene-9,9'-fluorene]-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone (CID 146409948) is spiro[4,4a,5,6-tetrahydrofluorene-9,9'-fluorene]-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone.
What is the SMILES notation for spiro[4,4a,5,6-tetrahydrofluorene-9,9'-fluorene]-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone?
The canonical SMILES for spiro[4,4a,5,6-tetrahydrofluorene-9,9'-fluorene]-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone is O=C(C1=CCC2C(=C1)C1(C3=C2CCC=C3)c2ccccc2-c2ccccc21)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of spiro[4,4a,5,6-tetrahydrofluorene-9,9'-fluorene]-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone?
The InChIKey is MJHDSIQITPWOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34O/c52-49(31-25-27-39-37-17-5-11-23-45(37)50(47(39)29-31)41-19-7-1-13-33(41)34-14-2-8-20-42(34)50)32-26-28-40-38-18-6-12-24-46(38)51(48(40)30-32)43-21-9-3-15-35(43)36-16-4-10-22-44(36)51/h1-5,7-17,19-27,29-30,40H,6,18,28H2.
What are the key properties of spiro[4,4a,5,6-tetrahydrofluorene-9,9'-fluorene]-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone?
spiro[4,4a,5,6-tetrahydrofluorene-9,9'-fluorene]-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone has a molecular weight of 662.83 g/mol, XLogP of 11.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4,4a,5,6-tetrahydrofluorene-9,9'-fluorene]-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone is sourced from PubChem (CID 146409948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).