2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene]

C60H36O — CID 170031817

IUPAC2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccc(-c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccc6ccccc6c54)cc3)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C60H36O/c1-2-15-42-38(14-1)32-34-46-45-18-5-9-23-50(45)60(58(42)46)51-24-10-6-19-47(51)57-41(20-13-26-53(57)60)39-30-28-37(29-31-39)40-33-35-56-54(36-40)59(52-25-11-12-27-55(52)61-56)48-21-7-3-16-43(48)44-17-4-8-22-49(44)59/h1-36H
InChIKeyZYRHFDKUAVAOLE-UHFFFAOYSA-N
MW772.95 g/mol
LogP14.99
Rot. Bonds2

About 2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene]

2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene] (PubChem CID 170031817) has the molecular formula C60H36O and a molecular weight of 772.95 g/mol. Its IUPAC name is 2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene]
PubChem CID170031817
Molecular FormulaC60H36O
Molecular Weight772.95 g/mol
Exact Mass772.28
IUPAC Name2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccc(-c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccc6ccccc6c54)cc3)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C60H36O/c1-2-15-42-38(14-1)32-34-46-45-18-5-9-23-50(45)60(58(42)46)51-24-10-6-19-47(51)57-41(20-13-26-53(57)60)39-30-28-37(29-31-39)40-33-35-56-54(36-40)59(52-25-11-12-27-55(52)61-56)48-21-7-3-16-43(48)44-17-4-8-22-49(44)59/h1-36H
InChIKeyZYRHFDKUAVAOLE-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

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-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene]
CID 170021111
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
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'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 177298671
9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene
CID 170032976
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170017230
2'-(9,9-diphenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
CID 170018800
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[a]fluorene-11,9'-xanthene]-7-amine
CID 138477419
4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)pyrimidine
CID 137388304
2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine
CID 130379641
2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]
CID 170028881

Frequently Asked Questions

What is the IUPAC name of 2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene] (CID 170031817) is 2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene] is c1ccc2c(c1)Oc1ccc(-c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccc6ccccc6c54)cc3)cc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene]?
The InChIKey is ZYRHFDKUAVAOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36O/c1-2-15-42-38(14-1)32-34-46-45-18-5-9-23-50(45)60(58(42)46)51-24-10-6-19-47(51)57-41(20-13-26-53(57)60)39-30-28-37(29-31-39)40-33-35-56-54(36-40)59(52-25-11-12-27-55(52)61-56)48-21-7-3-16-43(48)44-17-4-8-22-49(44)59/h1-36H.
What are the key properties of 2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene]?
2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene] 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 2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 170031817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).