9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene

C46H32O — CID 170032976

IUPAC9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene
SMILESCC1(C)c2ccccc2Oc2ccc(-c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc21
InChIInChI=1S/C46H32O/c1-45(2)39-19-9-10-21-42(39)47-43-27-26-31(28-41(43)45)29-22-24-30(25-23-29)32-15-11-20-40-44(32)35-14-5-8-18-38(35)46(40)36-16-6-3-12-33(36)34-13-4-7-17-37(34)46/h3-28H,1-2H3
InChIKeyUFODTGRWTYGPFN-UHFFFAOYSA-N
MW600.76 g/mol
LogP11.80
Rot. Bonds2

About 9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene

9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene (PubChem CID 170032976) has the molecular formula C46H32O and a molecular weight of 600.76 g/mol. Its IUPAC name is 9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene.

Molecular Properties

Compound Name9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene
PubChem CID170032976
Molecular FormulaC46H32O
Molecular Weight600.76 g/mol
Exact Mass600.25
IUPAC Name9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene
SMILESCC1(C)c2ccccc2Oc2ccc(-c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc21
InChIInChI=1S/C46H32O/c1-45(2)39-19-9-10-21-42(39)47-43-27-26-31(28-41(43)45)29-22-24-30(25-23-29)32-15-11-20-40-44(32)35-14-5-8-18-38(35)46(40)36-16-6-3-12-33(36)34-13-4-7-17-37(34)46/h3-28H,1-2H3
InChIKeyUFODTGRWTYGPFN-UHFFFAOYSA-N
XLogP11.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.76
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170019693
9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene
CID 170017622
2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene
CID 170018311
2'-(9,9-diphenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
CID 170018800
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170017230
2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 170031817
2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene
CID 177127900
2-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;4-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 161349725
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine
CID 167177926
4-[4-[4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]anilino]phenyl]-N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]aniline
CID 90365709
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 121391814

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene?
The IUPAC name of 9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene (CID 170032976) is 9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene.
What is the SMILES notation for 9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene?
The canonical SMILES for 9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene is CC1(C)c2ccccc2Oc2ccc(-c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene?
The InChIKey is UFODTGRWTYGPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32O/c1-45(2)39-19-9-10-21-42(39)47-43-27-26-31(28-41(43)45)29-22-24-30(25-23-29)32-15-11-20-40-44(32)35-14-5-8-18-38(35)46(40)36-16-6-3-12-33(36)34-13-4-7-17-37(34)46/h3-28H,1-2H3.
What are the key properties of 9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene?
9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene has a molecular weight of 600.76 g/mol, XLogP of 11.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene is sourced from PubChem (CID 170032976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).