2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]

C54H32O — CID 177126728

IUPAC2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3ccccc43)cc21
InChIInChI=1S/C54H32O/c1-2-15-35-33(14-1)29-31-47-51(35)39-17-4-7-21-42(39)53(47)43-22-8-5-18-40(43)52-36(19-13-25-46(52)53)34-28-30-38-37-16-3-6-20-41(37)54(48(38)32-34)44-23-9-11-26-49(44)55-50-27-12-10-24-45(50)54/h1-32H
InChIKeyGAHMZBNOTALOTN-UHFFFAOYSA-N
MW696.85 g/mol
LogP13.32
Rot. Bonds1

About 2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]

2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene] (PubChem CID 177126728) has the molecular formula C54H32O and a molecular weight of 696.85 g/mol. Its IUPAC name is 2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
PubChem CID177126728
Molecular FormulaC54H32O
Molecular Weight696.85 g/mol
Exact Mass696.25
IUPAC Name2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3ccccc43)cc21
InChIInChI=1S/C54H32O/c1-2-15-35-33(14-1)29-31-47-51(35)39-17-4-7-21-42(39)53(47)43-22-8-5-18-40(43)52-36(19-13-25-46(52)53)34-28-30-38-37-16-3-6-20-41(37)54(48(38)32-34)44-23-9-11-26-49(44)55-50-27-12-10-24-45(50)54/h1-32H
InChIKeyGAHMZBNOTALOTN-UHFFFAOYSA-N
XLogP13.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.85
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170017292
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-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 170031817
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 138476405
9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170019752
4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine
CID 130379318
12-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177126905
5-spiro[benzo[g]fluorene-7,9'-fluorene]-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 159949229
2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine
CID 130379641
4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)pyrimidine
CID 137388304
2'-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylspiro[fluorene-9,9'-xanthene]
CID 170037300
2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine
CID 130379927

Frequently Asked Questions

What is the IUPAC name of 2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene] (CID 177126728) is 2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene] is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3ccccc43)cc21.
What is the InChIKey of 2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]?
The InChIKey is GAHMZBNOTALOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32O/c1-2-15-35-33(14-1)29-31-47-51(35)39-17-4-7-21-42(39)53(47)43-22-8-5-18-40(43)52-36(19-13-25-46(52)53)34-28-30-38-37-16-3-6-20-41(37)54(48(38)32-34)44-23-9-11-26-49(44)55-50-27-12-10-24-45(50)54/h1-32H.
What are the key properties of 2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]?
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene] has a molecular weight of 696.85 g/mol, XLogP of 13.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 177126728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).