5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene]

C58H34O — CID 170020995

IUPAC5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene]
SMILESc1ccc2c(c1)Oc1c(cc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccc5ccccc5c43)c3ccccc13)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C58H34O/c1-2-16-37-35(15-1)29-31-43-41-20-7-11-25-49(41)58(55(37)43)50-26-12-8-21-42(50)46-33-36(30-32-51(46)58)45-34-53-56(44-22-4-3-17-38(44)45)59-54-28-14-13-27-52(54)57(53)47-23-9-5-18-39(47)40-19-6-10-24-48(40)57/h1-34H
InChIKeyNDRVDYCKNAHTSR-UHFFFAOYSA-N
MW746.91 g/mol
LogP14.47
Rot. Bonds1

About 5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene]

5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene] (PubChem CID 170020995) has the molecular formula C58H34O and a molecular weight of 746.91 g/mol. Its IUPAC name is 5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene].

Molecular Properties

Compound Name5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene]
PubChem CID170020995
Molecular FormulaC58H34O
Molecular Weight746.91 g/mol
Exact Mass746.26
IUPAC Name5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene]
SMILESc1ccc2c(c1)Oc1c(cc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccc5ccccc5c43)c3ccccc13)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C58H34O/c1-2-16-37-35(15-1)29-31-43-41-20-7-11-25-49(41)58(55(37)43)50-26-12-8-21-42(50)46-33-36(30-32-51(46)58)45-34-53-56(44-22-4-3-17-38(44)45)59-54-28-14-13-27-52(54)57(53)47-23-9-5-18-39(47)40-19-6-10-24-48(40)57/h1-34H
InChIKeyNDRVDYCKNAHTSR-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

5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033168
5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033530
5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170015285
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
2,4-diphenyl-6-[3-(3-spiro[benzo[a]fluorene-11,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 166825712
5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170023132
2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 170031817
9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene
CID 170028512
(2'S)-5-[3-(11-phenylbenzo[a]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-tetracyclo[8.4.0.02,5.03,8]tetradeca-1(14),3(8),4,6,10,12-hexaene]
CID 170028271
9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170023018
5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene]
CID 170019999
2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene]
CID 170021111

Frequently Asked Questions

What is the IUPAC name of 5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene]?
The IUPAC name of 5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene] (CID 170020995) is 5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene].
What is the SMILES notation for 5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene]?
The canonical SMILES for 5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene] is c1ccc2c(c1)Oc1c(cc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccc5ccccc5c43)c3ccccc13)C21c2ccccc2-c2ccccc21.
What is the InChIKey of 5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene]?
The InChIKey is NDRVDYCKNAHTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34O/c1-2-16-37-35(15-1)29-31-43-41-20-7-11-25-49(41)58(55(37)43)50-26-12-8-21-42(50)46-33-36(30-32-51(46)58)45-34-53-56(44-22-4-3-17-38(44)45)59-54-28-14-13-27-52(54)57(53)47-23-9-5-18-39(47)40-19-6-10-24-48(40)57/h1-34H.
What are the key properties of 5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene]?
5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-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 5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene] is sourced from PubChem (CID 170020995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).