5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]

C60H36O — CID 170033168

IUPAC5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
SMILESc1cc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc(-c2cc3c(c4ccccc24)Oc2ccccc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C60H36O/c1-2-24-47-40(18-1)48(36-56-58(47)61-57-31-14-13-30-54(57)60(56)52-28-11-5-21-43(52)44-22-6-12-29-53(44)60)39-17-15-16-37(34-39)38-32-33-46-45-23-7-10-27-51(45)59(55(46)35-38)49-25-8-3-19-41(49)42-20-4-9-26-50(42)59/h1-36H
InChIKeyULHSYSOIVZORBJ-UHFFFAOYSA-N
MW772.95 g/mol
LogP14.99
Rot. Bonds2

About 5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]

5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene] (PubChem CID 170033168) has the molecular formula C60H36O and a molecular weight of 772.95 g/mol. Its IUPAC name is 5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene].

Molecular Properties

Compound Name5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
PubChem CID170033168
Molecular FormulaC60H36O
Molecular Weight772.95 g/mol
Exact Mass772.28
IUPAC Name5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
SMILESc1cc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc(-c2cc3c(c4ccccc24)Oc2ccccc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C60H36O/c1-2-24-47-40(18-1)48(36-56-58(47)61-57-31-14-13-30-54(57)60(56)52-28-11-5-21-43(52)44-22-6-12-29-53(44)60)39-17-15-16-37(34-39)38-32-33-46-45-23-7-10-27-51(45)59(55(46)35-38)49-25-8-3-19-41(49)42-20-4-9-26-50(42)59/h1-36H
InChIKeyULHSYSOIVZORBJ-UHFFFAOYSA-N
XLogP14.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.95
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene]
CID 170020995
5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033530
5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033320
2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 177298671
5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170023132
2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)spiro[fluorene-9,9'-xanthene]
CID 170037139
5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene]
CID 170019999
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947301
2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]
CID 59096369
2-phenyl-4-(3-phenylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571369
2'-(9,9'-spirobi[fluorene]-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]
CID 170034318
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-[3-[3-[4-[(9R)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 166738180

Frequently Asked Questions

What is the IUPAC name of 5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]?
The IUPAC name of 5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene] (CID 170033168) is 5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene].
What is the SMILES notation for 5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]?
The canonical SMILES for 5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene] is c1cc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc(-c2cc3c(c4ccccc24)Oc2ccccc2C32c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]?
The InChIKey is ULHSYSOIVZORBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36O/c1-2-24-47-40(18-1)48(36-56-58(47)61-57-31-14-13-30-54(57)60(56)52-28-11-5-21-43(52)44-22-6-12-29-53(44)60)39-17-15-16-37(34-39)38-32-33-46-45-23-7-10-27-51(45)59(55(46)35-38)49-25-8-3-19-41(49)42-20-4-9-26-50(42)59/h1-36H.
What are the key properties of 5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]?
5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene] has a molecular weight of 772.95 g/mol, XLogP of 14.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene] is sourced from PubChem (CID 170033168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).