2-bromo-9-methylsulfanyl-7,7-dipropylbenzo[c]fluoren-5-ol

C24H25BrOS — CID 156533758

IUPAC2-bromo-9-methylsulfanyl-7,7-dipropylbenzo[c]fluoren-5-ol
SMILESCCCC1(CCC)c2cc(SC)ccc2-c2c1cc(O)c1ccc(Br)cc21
InChIInChI=1S/C24H25BrOS/c1-4-10-24(11-5-2)20-13-16(27-3)7-9-18(20)23-19-12-15(25)6-8-17(19)22(26)14-21(23)24/h6-9,12-14,26H,4-5,10-11H2,1-3H3
InChIKeyLOFZISDXCXDNAE-UHFFFAOYSA-N
MW441.43 g/mol
LogP7.90
Rot. Bonds5

About 2-bromo-9-methylsulfanyl-7,7-dipropylbenzo[c]fluoren-5-ol

2-bromo-9-methylsulfanyl-7,7-dipropylbenzo[c]fluoren-5-ol (PubChem CID 156533758) has the molecular formula C24H25BrOS and a molecular weight of 441.43 g/mol. Its IUPAC name is 2-bromo-9-methylsulfanyl-7,7-dipropylbenzo[c]fluoren-5-ol.

Molecular Properties

Compound Name2-bromo-9-methylsulfanyl-7,7-dipropylbenzo[c]fluoren-5-ol
PubChem CID156533758
Molecular FormulaC24H25BrOS
Molecular Weight441.43 g/mol
Exact Mass440.08
IUPAC Name2-bromo-9-methylsulfanyl-7,7-dipropylbenzo[c]fluoren-5-ol
SMILESCCCC1(CCC)c2cc(SC)ccc2-c2c1cc(O)c1ccc(Br)cc21
InChIInChI=1S/C24H25BrOS/c1-4-10-24(11-5-2)20-13-16(27-3)7-9-18(20)23-19-12-15(25)6-8-17(19)22(26)14-21(23)24/h6-9,12-14,26H,4-5,10-11H2,1-3H3
InChIKeyLOFZISDXCXDNAE-UHFFFAOYSA-N
XLogP7.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.43
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 90202241
7,7-dihexylbenzo[c]fluorene-5,9-diol
CID 20754166
3,9-dimethoxy-7-propyl-7-(3,3,3-trifluoropropyl)benzo[c]fluoren-5-ol
CID 170035779
3-bromo-7,7-dimethylbenzo[c]fluoren-5-ol
CID 68526611
2-bromo-7-isocyano-9,9-dipropylfluorene
CID 140702286
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
2-bromo-9,9-dihexyl-7-iodofluorene
CID 18448199
6,15,24-tribromo-9,18,27-triethyl-9,18,27-trioctylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene
CID 148782423
2-bromo-6-methylsulfanylnaphthalene
CID 22018449
2,7-dibromo-9,9-bis(2-bromoethyl)fluorene
CID 68813933
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153
2-bromo-7-[7-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
CID 101349913

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-methylsulfanyl-7,7-dipropylbenzo[c]fluoren-5-ol?
The IUPAC name of 2-bromo-9-methylsulfanyl-7,7-dipropylbenzo[c]fluoren-5-ol (CID 156533758) is 2-bromo-9-methylsulfanyl-7,7-dipropylbenzo[c]fluoren-5-ol.
What is the SMILES notation for 2-bromo-9-methylsulfanyl-7,7-dipropylbenzo[c]fluoren-5-ol?
The canonical SMILES for 2-bromo-9-methylsulfanyl-7,7-dipropylbenzo[c]fluoren-5-ol is CCCC1(CCC)c2cc(SC)ccc2-c2c1cc(O)c1ccc(Br)cc21.
What is the InChIKey of 2-bromo-9-methylsulfanyl-7,7-dipropylbenzo[c]fluoren-5-ol?
The InChIKey is LOFZISDXCXDNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrOS/c1-4-10-24(11-5-2)20-13-16(27-3)7-9-18(20)23-19-12-15(25)6-8-17(19)22(26)14-21(23)24/h6-9,12-14,26H,4-5,10-11H2,1-3H3.
What are the key properties of 2-bromo-9-methylsulfanyl-7,7-dipropylbenzo[c]fluoren-5-ol?
2-bromo-9-methylsulfanyl-7,7-dipropylbenzo[c]fluoren-5-ol has a molecular weight of 441.43 g/mol, XLogP of 7.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-methylsulfanyl-7,7-dipropylbenzo[c]fluoren-5-ol is sourced from PubChem (CID 156533758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).