5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene]

C64H38O — CID 170033530

IUPAC5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene]
SMILESc1ccc2c(c1)Oc1c(cc(-c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5cc6ccccc6cc54)cc3)c3ccccc13)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C64H38O/c1-2-17-42-37-58-51(36-41(42)16-1)47-21-7-11-27-54(47)64(58)55-28-12-8-23-49(55)61-43(24-15-30-57(61)64)39-32-34-40(35-33-39)50-38-59-62(48-22-4-3-18-44(48)50)65-60-31-14-13-29-56(60)63(59)52-25-9-5-19-45(52)46-20-6-10-26-53(46)63/h1-38H
InChIKeySSEHRJNANZMLRS-UHFFFAOYSA-N
MW823.01 g/mol
LogP16.14
Rot. Bonds2

About 5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene]

5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene] (PubChem CID 170033530) has the molecular formula C64H38O and a molecular weight of 823.01 g/mol. Its IUPAC name is 5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene].

Molecular Properties

Compound Name5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene]
PubChem CID170033530
Molecular FormulaC64H38O
Molecular Weight823.01 g/mol
Exact Mass822.29
IUPAC Name5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene]
SMILESc1ccc2c(c1)Oc1c(cc(-c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5cc6ccccc6cc54)cc3)c3ccccc13)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C64H38O/c1-2-17-42-37-58-51(36-41(42)16-1)47-21-7-11-27-54(47)64(58)55-28-12-8-23-49(55)61-43(24-15-30-57(61)64)39-32-34-40(35-33-39)50-38-59-62(48-22-4-3-18-44(48)50)65-60-31-14-13-29-56(60)63(59)52-25-9-5-19-45(52)46-20-6-10-26-53(46)63/h1-38H
InChIKeySSEHRJNANZMLRS-UHFFFAOYSA-N
XLogP16.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.01
LogP ≤ 516.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene]
CID 170019999
5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170023132
5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033168
5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene]
CID 170020995
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene
CID 170020051
2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 170031817
4-(4-phenanthren-9-ylphenyl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine
CID 161372261
6-spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 170025229
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
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
CID 138477870
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326888

Frequently Asked Questions

What is the IUPAC name of 5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene]?
The IUPAC name of 5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene] (CID 170033530) is 5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene].
What is the SMILES notation for 5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene]?
The canonical SMILES for 5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene] is c1ccc2c(c1)Oc1c(cc(-c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5cc6ccccc6cc54)cc3)c3ccccc13)C21c2ccccc2-c2ccccc21.
What is the InChIKey of 5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene]?
The InChIKey is SSEHRJNANZMLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38O/c1-2-17-42-37-58-51(36-41(42)16-1)47-21-7-11-27-54(47)64(58)55-28-12-8-23-49(55)61-43(24-15-30-57(61)64)39-32-34-40(35-33-39)50-38-59-62(48-22-4-3-18-44(48)50)65-60-31-14-13-29-56(60)63(59)52-25-9-5-19-45(52)46-20-6-10-26-53(46)63/h1-38H.
What are the key properties of 5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene]?
5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene] has a molecular weight of 823.01 g/mol, XLogP of 16.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene] is sourced from PubChem (CID 170033530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).