4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene

C40H30O — CID 170018659

IUPAC4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C40H30O/c1-39(2)33-20-10-9-18-31(33)32-26-27(24-25-34(32)39)30-19-13-22-36-38(30)41-37-23-12-11-21-35(37)40(36,28-14-5-3-6-15-28)29-16-7-4-8-17-29/h3-26H,1-2H3
InChIKeyCGQKPPUCHPXHBQ-UHFFFAOYSA-N
MW526.68 g/mol
LogP10.15
Rot. Bonds3

About 4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene

4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene (PubChem CID 170018659) has the molecular formula C40H30O and a molecular weight of 526.68 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene
PubChem CID170018659
Molecular FormulaC40H30O
Molecular Weight526.68 g/mol
Exact Mass526.23
IUPAC Name4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C40H30O/c1-39(2)33-20-10-9-18-31(33)32-26-27(24-25-34(32)39)30-19-13-22-36-38(30)41-37-23-12-11-21-35(37)40(36,28-14-5-3-6-15-28)29-16-7-4-8-17-29/h3-26H,1-2H3
InChIKeyCGQKPPUCHPXHBQ-UHFFFAOYSA-N
XLogP10.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.68
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene
CID 170018181
4-[3-(9,9-diphenylxanthen-4-yl)-5-phenylphenyl]-9,9-diphenylxanthene
CID 171724084
4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177127667
2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene
CID 170018311
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972931
4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene
CID 171742930
9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
CID 170029425
2-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine
CID 155714935
1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[2,1-c]phenoxathiine
CID 118081393
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene
CID 170020209
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
4-[4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 166995669

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene?
The IUPAC name of 4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene (CID 170018659) is 4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene.
What is the SMILES notation for 4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene?
The canonical SMILES for 4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene is CC1(C)c2ccccc2-c2cc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of 4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene?
The InChIKey is CGQKPPUCHPXHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30O/c1-39(2)33-20-10-9-18-31(33)32-26-27(24-25-34(32)39)30-19-13-22-36-38(30)41-37-23-12-11-21-35(37)40(36,28-14-5-3-6-15-28)29-16-7-4-8-17-29/h3-26H,1-2H3.
What are the key properties of 4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene?
4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene has a molecular weight of 526.68 g/mol, XLogP of 10.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene is sourced from PubChem (CID 170018659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).