2'-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)spiro[fluorene-9,9'-xanthene]

C49H36O — CID 177127726

IUPAC2'-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)spiro[fluorene-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccc(-c3ccccc3-c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C49H36O/c1-12-28-48(29-13-1)40-19-7-4-16-36(40)39-26-24-32(30-44(39)48)34-14-2-3-15-35(34)33-25-27-47-45(31-33)49(43-22-10-11-23-46(43)50-47)41-20-8-5-17-37(41)38-18-6-9-21-42(38)49/h2-11,14-27,30-31H,1,12-13,28-29H2
InChIKeyORWKIASHUCRBEB-UHFFFAOYSA-N
MW640.83 g/mol
LogP12.72
Rot. Bonds2

About 2'-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)spiro[fluorene-9,9'-xanthene]

2'-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)spiro[fluorene-9,9'-xanthene] (PubChem CID 177127726) has the molecular formula C49H36O and a molecular weight of 640.83 g/mol. Its IUPAC name is 2'-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2'-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)spiro[fluorene-9,9'-xanthene]
PubChem CID177127726
Molecular FormulaC49H36O
Molecular Weight640.83 g/mol
Exact Mass640.28
IUPAC Name2'-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)spiro[fluorene-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccc(-c3ccccc3-c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C49H36O/c1-12-28-48(29-13-1)40-19-7-4-16-36(40)39-26-24-32(30-44(39)48)34-14-2-3-15-35(34)33-25-27-47-45(31-33)49(43-22-10-11-23-46(43)50-47)41-20-8-5-17-37(41)38-18-6-9-21-42(38)49/h2-11,14-27,30-31H,1,12-13,28-29H2
InChIKeyORWKIASHUCRBEB-UHFFFAOYSA-N
XLogP12.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2'-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)spiro[fluorene-9,9'-xanthene] with MolForge

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Related Compounds

12-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177126861
2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170032385
spiro[cyclohexane-1,9'-xanthene]
CID 12861604
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
4,6-diphenyl-2-[2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 137388315
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
2-(2-phenylphenyl)-4,6-di(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,3,5-triazine
CID 174271533
2,4-bis(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 159156197
2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene]
CID 58814373
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316

Frequently Asked Questions

What is the IUPAC name of 2'-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2'-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)spiro[fluorene-9,9'-xanthene] (CID 177127726) is 2'-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2'-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2'-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)spiro[fluorene-9,9'-xanthene] is c1ccc2c(c1)Oc1ccc(-c3ccccc3-c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)cc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 2'-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)spiro[fluorene-9,9'-xanthene]?
The InChIKey is ORWKIASHUCRBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36O/c1-12-28-48(29-13-1)40-19-7-4-16-36(40)39-26-24-32(30-44(39)48)34-14-2-3-15-35(34)33-25-27-47-45(31-33)49(43-22-10-11-23-46(43)50-47)41-20-8-5-17-37(41)38-18-6-9-21-42(38)49/h2-11,14-27,30-31H,1,12-13,28-29H2.
What are the key properties of 2'-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)spiro[fluorene-9,9'-xanthene]?
2'-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)spiro[fluorene-9,9'-xanthene] has a molecular weight of 640.83 g/mol, XLogP of 12.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 177127726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).