3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]

C47H30O — CID 177299104

IUPAC3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]
SMILESc1ccc(-c2cccc3cccc(-c4cccc(-c5ccc6c(c5)Oc5ccccc5C65c6ccccc6-c6ccccc65)c4)c23)cc1
InChIInChI=1S/C47H30O/c1-2-13-31(14-3-1)36-21-11-15-32-16-12-22-37(46(32)36)35-18-10-17-33(29-35)34-27-28-43-45(30-34)48-44-26-9-8-25-42(44)47(43)40-23-6-4-19-38(40)39-20-5-7-24-41(39)47/h1-30H
InChIKeyDYHUKCRGFPELRT-UHFFFAOYSA-N
MW610.76 g/mol
LogP12.31
Rot. Bonds3

About 3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]

3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene] (PubChem CID 177299104) has the molecular formula C47H30O and a molecular weight of 610.76 g/mol. Its IUPAC name is 3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]
PubChem CID177299104
Molecular FormulaC47H30O
Molecular Weight610.76 g/mol
Exact Mass610.23
IUPAC Name3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]
SMILESc1ccc(-c2cccc3cccc(-c4cccc(-c5ccc6c(c5)Oc5ccccc5C65c6ccccc6-c6ccccc65)c4)c23)cc1
InChIInChI=1S/C47H30O/c1-2-13-31(14-3-1)36-21-11-15-32-16-12-22-37(46(32)36)35-18-10-17-33(29-35)34-27-28-43-45(30-34)48-44-26-9-8-25-42(44)47(43)40-23-6-4-19-38(40)39-20-5-7-24-41(39)47/h1-30H
InChIKeyDYHUKCRGFPELRT-UHFFFAOYSA-N
XLogP12.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3'-[5-[2-(8-phenylnaphthalen-1-yl)phenyl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]
CID 177298725
2,4-diphenyl-6-[2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 160865421
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389330
4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389218
4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389240
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389326
2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 177298671
4,6-bis(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 157164289
2,4-diphenyl-6-[3-(3-spiro[benzo[b]xanthene-12,9'-fluorene]-3-ylphenyl)phenyl]-1,3,5-triazine
CID 155054955

Frequently Asked Questions

What is the IUPAC name of 3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene] (CID 177299104) is 3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene] is c1ccc(-c2cccc3cccc(-c4cccc(-c5ccc6c(c5)Oc5ccccc5C65c6ccccc6-c6ccccc65)c4)c23)cc1.
What is the InChIKey of 3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]?
The InChIKey is DYHUKCRGFPELRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30O/c1-2-13-31(14-3-1)36-21-11-15-32-16-12-22-37(46(32)36)35-18-10-17-33(29-35)34-27-28-43-45(30-34)48-44-26-9-8-25-42(44)47(43)40-23-6-4-19-38(40)39-20-5-7-24-41(39)47/h1-30H.
What are the key properties of 3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]?
3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene] has a molecular weight of 610.76 g/mol, XLogP of 12.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 177299104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).