3'-[5-[2-(8-phenylnaphthalen-1-yl)phenyl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]

C51H32OS — CID 177298725

IUPAC3'-[5-[2-(8-phenylnaphthalen-1-yl)phenyl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4-c4ccc(-c5ccc6c(c5)Oc5ccccc5C65c6ccccc6-c6ccccc65)s4)c23)cc1
InChIInChI=1S/C51H32OS/c1-2-14-33(15-3-1)36-22-12-16-34-17-13-23-41(50(34)36)37-18-4-5-21-40(37)49-31-30-48(53-49)35-28-29-45-47(32-35)52-46-27-11-10-26-44(46)51(45)42-24-8-6-19-38(42)39-20-7-9-25-43(39)51/h1-32H
InChIKeyLGUNAAVZBHJCOF-UHFFFAOYSA-N
MW692.88 g/mol
LogP14.04
Rot. Bonds4

About 3'-[5-[2-(8-phenylnaphthalen-1-yl)phenyl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]

3'-[5-[2-(8-phenylnaphthalen-1-yl)phenyl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene] (PubChem CID 177298725) has the molecular formula C51H32OS and a molecular weight of 692.88 g/mol. Its IUPAC name is 3'-[5-[2-(8-phenylnaphthalen-1-yl)phenyl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name3'-[5-[2-(8-phenylnaphthalen-1-yl)phenyl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]
PubChem CID177298725
Molecular FormulaC51H32OS
Molecular Weight692.88 g/mol
Exact Mass692.22
IUPAC Name3'-[5-[2-(8-phenylnaphthalen-1-yl)phenyl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4-c4ccc(-c5ccc6c(c5)Oc5ccccc5C65c6ccccc6-c6ccccc65)s4)c23)cc1
InChIInChI=1S/C51H32OS/c1-2-14-33(15-3-1)36-22-12-16-34-17-13-23-41(50(34)36)37-18-4-5-21-40(37)49-31-30-48(53-49)35-28-29-45-47(32-35)52-46-27-11-10-26-44(46)51(45)42-24-8-6-19-38(42)39-20-7-9-25-43(39)51/h1-32H
InChIKeyLGUNAAVZBHJCOF-UHFFFAOYSA-N
XLogP14.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.88
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177299104
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
4-[5-(4-phenylphenyl)thiophen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177298217
4-(5-spiro[fluorene-9,9'-xanthene]-2'-ylthiophen-2-yl)benzonitrile
CID 155476629
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
N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164794128
4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389326
8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 137388424
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
3-(5-dibenzofuran-4-ylthiophen-2-yl)-9,9-diphenylxanthene
CID 177298250
3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177297747
4-phenyl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine
CID 137388581

Frequently Asked Questions

What is the IUPAC name of 3'-[5-[2-(8-phenylnaphthalen-1-yl)phenyl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 3'-[5-[2-(8-phenylnaphthalen-1-yl)phenyl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene] (CID 177298725) is 3'-[5-[2-(8-phenylnaphthalen-1-yl)phenyl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 3'-[5-[2-(8-phenylnaphthalen-1-yl)phenyl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 3'-[5-[2-(8-phenylnaphthalen-1-yl)phenyl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene] is c1ccc(-c2cccc3cccc(-c4ccccc4-c4ccc(-c5ccc6c(c5)Oc5ccccc5C65c6ccccc6-c6ccccc65)s4)c23)cc1.
What is the InChIKey of 3'-[5-[2-(8-phenylnaphthalen-1-yl)phenyl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]?
The InChIKey is LGUNAAVZBHJCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32OS/c1-2-14-33(15-3-1)36-22-12-16-34-17-13-23-41(50(34)36)37-18-4-5-21-40(37)49-31-30-48(53-49)35-28-29-45-47(32-35)52-46-27-11-10-26-44(46)51(45)42-24-8-6-19-38(42)39-20-7-9-25-43(39)51/h1-32H.
What are the key properties of 3'-[5-[2-(8-phenylnaphthalen-1-yl)phenyl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]?
3'-[5-[2-(8-phenylnaphthalen-1-yl)phenyl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene] has a molecular weight of 692.88 g/mol, XLogP of 14.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[5-[2-(8-phenylnaphthalen-1-yl)phenyl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 177298725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).