2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene]

C58H34O — CID 170021111

IUPAC2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc5ccccc5c43)ccc2Oc2cc3ccccc3cc21
InChIInChI=1S/C58H34O/c1-2-15-37-34-55-53(32-36(37)14-1)57(47-21-9-5-17-41(47)42-18-6-10-22-48(42)57)52-33-39(27-30-54(52)59-55)38-26-28-45-43-19-7-11-23-49(43)58(51(45)31-38)50-24-12-8-20-44(50)46-29-25-35-13-3-4-16-40(35)56(46)58/h1-34H
InChIKeyNTSRUQYSEBYFOK-UHFFFAOYSA-N
MW746.91 g/mol
LogP14.47
Rot. Bonds1

About 2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene]

2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene] (PubChem CID 170021111) has the molecular formula C58H34O and a molecular weight of 746.91 g/mol. Its IUPAC name is 2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene].

Molecular Properties

Compound Name2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene]
PubChem CID170021111
Molecular FormulaC58H34O
Molecular Weight746.91 g/mol
Exact Mass746.26
IUPAC Name2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc5ccccc5c43)ccc2Oc2cc3ccccc3cc21
InChIInChI=1S/C58H34O/c1-2-15-37-34-55-53(32-36(37)14-1)57(47-21-9-5-17-41(47)42-18-6-10-22-48(42)57)52-33-39(27-30-54(52)59-55)38-26-28-45-43-19-7-11-23-49(43)58(51(45)31-38)50-24-12-8-20-44(50)46-29-25-35-13-3-4-16-40(35)56(46)58/h1-34H
InChIKeyNTSRUQYSEBYFOK-UHFFFAOYSA-N
XLogP14.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.91
LogP ≤ 514.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 170031817
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
12-spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177126719
3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177126971
2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 177298671
2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 134216060
9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
CID 177127137
9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170027656
2,4-diphenyl-6-[3-(3-spiro[benzo[a]fluorene-11,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 166825712
2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene]
CID 170020436
7'-(4-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 145353249
1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 170029352

Frequently Asked Questions

What is the IUPAC name of 2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene]?
The IUPAC name of 2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene] (CID 170021111) is 2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene].
What is the SMILES notation for 2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene]?
The canonical SMILES for 2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc5ccccc5c43)ccc2Oc2cc3ccccc3cc21.
What is the InChIKey of 2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene]?
The InChIKey is NTSRUQYSEBYFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34O/c1-2-15-37-34-55-53(32-36(37)14-1)57(47-21-9-5-17-41(47)42-18-6-10-22-48(42)57)52-33-39(27-30-54(52)59-55)38-26-28-45-43-19-7-11-23-49(43)58(51(45)31-38)50-24-12-8-20-44(50)46-29-25-35-13-3-4-16-40(35)56(46)58/h1-34H.
What are the key properties of 2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene]?
2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene] has a molecular weight of 746.91 g/mol, XLogP of 14.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene] is sourced from PubChem (CID 170021111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).