2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]

C41H26O — CID 177298671

IUPAC2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]
SMILESc1cc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C41H26O/c1-2-15-31-27(11-1)12-10-18-32(31)30-14-9-13-28(25-30)29-23-24-40-38(26-29)41(37-21-7-8-22-39(37)42-40)35-19-5-3-16-33(35)34-17-4-6-20-36(34)41/h1-26H
InChIKeyJZGCIKVJKDZLER-UHFFFAOYSA-N
MW534.66 g/mol
LogP10.64
Rot. Bonds2

About 2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]

2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene] (PubChem CID 177298671) has the molecular formula C41H26O and a molecular weight of 534.66 g/mol. Its IUPAC name is 2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]
PubChem CID177298671
Molecular FormulaC41H26O
Molecular Weight534.66 g/mol
Exact Mass534.20
IUPAC Name2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]
SMILESc1cc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C41H26O/c1-2-15-31-27(11-1)12-10-18-32(31)30-14-9-13-28(25-30)29-23-24-40-38(26-29)41(37-21-7-8-22-39(37)42-40)35-19-5-3-16-33(35)34-17-4-6-20-36(34)41/h1-26H
InChIKeyJZGCIKVJKDZLER-UHFFFAOYSA-N
XLogP10.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947377
2,4-bis(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 160998252
2'-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-4-ylspiro[fluorene-9,9'-xanthene]
CID 170037298
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
2-phenyl-4-(3-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 130380047
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378933
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947292
2-phenanthren-2-yl-4-phenyl-6-[3-[6'-[3-[3-[4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
CID 146343035
2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]-1,3,5-triazine
CID 146343033
5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033168
2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 170031817

Frequently Asked Questions

What is the IUPAC name of 2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene] (CID 177298671) is 2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene] is c1cc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of 2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]?
The InChIKey is JZGCIKVJKDZLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26O/c1-2-15-31-27(11-1)12-10-18-32(31)30-14-9-13-28(25-30)29-23-24-40-38(26-29)41(37-21-7-8-22-39(37)42-40)35-19-5-3-16-33(35)34-17-4-6-20-36(34)41/h1-26H.
What are the key properties of 2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]?
2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene] has a molecular weight of 534.66 g/mol, XLogP of 10.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 177298671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).