6-[9,9-dimethyl-7-(2-methylsulfanylphenyl)sulfanylfluoren-2-yl]-1,2-dihydrodibenzofuran

C34H28OS2 — CID 145441970

IUPAC6-[9,9-dimethyl-7-(2-methylsulfanylphenyl)sulfanylfluoren-2-yl]-1,2-dihydrodibenzofuran
SMILESCSc1ccccc1Sc1ccc2c(c1)C(C)(C)c1cc(-c3cccc4c5c(oc34)C=CCC5)ccc1-2
InChIInChI=1S/C34H28OS2/c1-34(2)28-19-21(23-10-8-11-27-26-9-4-5-12-30(26)35-33(23)27)15-17-24(28)25-18-16-22(20-29(25)34)37-32-14-7-6-13-31(32)36-3/h5-8,10-20H,4,9H2,1-3H3
InChIKeyDOQJNFFZHUAQBG-UHFFFAOYSA-N
MW516.73 g/mol
LogP10.24
Rot. Bonds4

About 6-[9,9-dimethyl-7-(2-methylsulfanylphenyl)sulfanylfluoren-2-yl]-1,2-dihydrodibenzofuran

6-[9,9-dimethyl-7-(2-methylsulfanylphenyl)sulfanylfluoren-2-yl]-1,2-dihydrodibenzofuran (PubChem CID 145441970) has the molecular formula C34H28OS2 and a molecular weight of 516.73 g/mol. Its IUPAC name is 6-[9,9-dimethyl-7-(2-methylsulfanylphenyl)sulfanylfluoren-2-yl]-1,2-dihydrodibenzofuran.

Molecular Properties

Compound Name6-[9,9-dimethyl-7-(2-methylsulfanylphenyl)sulfanylfluoren-2-yl]-1,2-dihydrodibenzofuran
PubChem CID145441970
Molecular FormulaC34H28OS2
Molecular Weight516.73 g/mol
Exact Mass516.16
IUPAC Name6-[9,9-dimethyl-7-(2-methylsulfanylphenyl)sulfanylfluoren-2-yl]-1,2-dihydrodibenzofuran
SMILESCSc1ccccc1Sc1ccc2c(c1)C(C)(C)c1cc(-c3cccc4c5c(oc34)C=CCC5)ccc1-2
InChIInChI=1S/C34H28OS2/c1-34(2)28-19-21(23-10-8-11-27-26-9-4-5-12-30(26)35-33(23)27)15-17-24(28)25-18-16-22(20-29(25)34)37-32-14-7-6-13-31(32)36-3/h5-8,10-20H,4,9H2,1-3H3
InChIKeyDOQJNFFZHUAQBG-UHFFFAOYSA-N
XLogP10.24
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.73
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 87631578
6,6,12,12-tetramethyl-2,8-bis(2-methylsulfanylphenyl)indeno[1,2-b]fluorene
CID 145260077
4-[4-[8-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]pyren-1-yl]phenyl]dibenzofuran
CID 88912607
5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 163474399
9-[10-(8,9-dihydrodibenzofuran-4-yl)phenanthren-9-yl]fluoren-9-ol
CID 163459929
9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene
CID 143619795
9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole
CID 87171652
6-(10-pyren-1-ylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 88564296
2-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-3-(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine
CID 88905815
3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one
CID 71260985
4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran
CID 87688488
2-(7,7-dimethyl-3,4-dihydrofluoreno[4,3-b][1]benzofuran-5-yl)-4,6-diphenylpyrimidine
CID 163556619

Frequently Asked Questions

What is the IUPAC name of 6-[9,9-dimethyl-7-(2-methylsulfanylphenyl)sulfanylfluoren-2-yl]-1,2-dihydrodibenzofuran?
The IUPAC name of 6-[9,9-dimethyl-7-(2-methylsulfanylphenyl)sulfanylfluoren-2-yl]-1,2-dihydrodibenzofuran (CID 145441970) is 6-[9,9-dimethyl-7-(2-methylsulfanylphenyl)sulfanylfluoren-2-yl]-1,2-dihydrodibenzofuran.
What is the SMILES notation for 6-[9,9-dimethyl-7-(2-methylsulfanylphenyl)sulfanylfluoren-2-yl]-1,2-dihydrodibenzofuran?
The canonical SMILES for 6-[9,9-dimethyl-7-(2-methylsulfanylphenyl)sulfanylfluoren-2-yl]-1,2-dihydrodibenzofuran is CSc1ccccc1Sc1ccc2c(c1)C(C)(C)c1cc(-c3cccc4c5c(oc34)C=CCC5)ccc1-2.
What is the InChIKey of 6-[9,9-dimethyl-7-(2-methylsulfanylphenyl)sulfanylfluoren-2-yl]-1,2-dihydrodibenzofuran?
The InChIKey is DOQJNFFZHUAQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28OS2/c1-34(2)28-19-21(23-10-8-11-27-26-9-4-5-12-30(26)35-33(23)27)15-17-24(28)25-18-16-22(20-29(25)34)37-32-14-7-6-13-31(32)36-3/h5-8,10-20H,4,9H2,1-3H3.
What are the key properties of 6-[9,9-dimethyl-7-(2-methylsulfanylphenyl)sulfanylfluoren-2-yl]-1,2-dihydrodibenzofuran?
6-[9,9-dimethyl-7-(2-methylsulfanylphenyl)sulfanylfluoren-2-yl]-1,2-dihydrodibenzofuran has a molecular weight of 516.73 g/mol, XLogP of 10.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9,9-dimethyl-7-(2-methylsulfanylphenyl)sulfanylfluoren-2-yl]-1,2-dihydrodibenzofuran is sourced from PubChem (CID 145441970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).