3,7-dimethyldibenzothiophene;5-hydroxy-3,7-dimethylbenzo[b]phosphindole

C28H25OPS — CID 143237418

IUPAC3,7-dimethyldibenzothiophene;5-hydroxy-3,7-dimethylbenzo[b]phosphindole
SMILESCc1ccc2c(c1)sc1cc(C)ccc12.Cc1ccc2c3ccc(C)cc3p(O)c2c1
InChIInChI=1S/C14H13OP.C14H12S/c1-9-3-5-11-12-6-4-10(2)8-14(12)16(15)13(11)7-9;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9/h3-8,15H,1-2H3;3-8H,1-2H3
InChIKeyDEHUMJVABVYMJU-UHFFFAOYSA-N
MW440.55 g/mol
LogP9.02
Rot. Bonds

About 3,7-dimethyldibenzothiophene;5-hydroxy-3,7-dimethylbenzo[b]phosphindole

3,7-dimethyldibenzothiophene;5-hydroxy-3,7-dimethylbenzo[b]phosphindole (PubChem CID 143237418) has the molecular formula C28H25OPS and a molecular weight of 440.55 g/mol. Its IUPAC name is 3,7-dimethyldibenzothiophene;5-hydroxy-3,7-dimethylbenzo[b]phosphindole.

Molecular Properties

Compound Name3,7-dimethyldibenzothiophene;5-hydroxy-3,7-dimethylbenzo[b]phosphindole
PubChem CID143237418
Molecular FormulaC28H25OPS
Molecular Weight440.55 g/mol
Exact Mass440.14
IUPAC Name3,7-dimethyldibenzothiophene;5-hydroxy-3,7-dimethylbenzo[b]phosphindole
SMILESCc1ccc2c(c1)sc1cc(C)ccc12.Cc1ccc2c3ccc(C)cc3p(O)c2c1
InChIInChI=1S/C14H13OP.C14H12S/c1-9-3-5-11-12-6-4-10(2)8-14(12)16(15)13(11)7-9;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9/h3-8,15H,1-2H3;3-8H,1-2H3
InChIKeyDEHUMJVABVYMJU-UHFFFAOYSA-N
XLogP9.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 59.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 156529970
7-methyl-1,2-dimethylidene-[1]benzothiolo[5,6-b][1]benzothiole
CID 146520517
N,17-dimethyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 126614110
12,32-dimethyl-15,22,29-trithiaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(23),2(21),3,6,8(16),9(14),10,12,17,19,24,26,28(36),30(35),31,33,37,40-octadecaene
CID 70935750
4,7-dimethylthiochromene-2-thione
CID 12630081
6-methyl-3-sulfanyl-1-benzothiophen-2-ol
CID 130961928
6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 155358638
4-fluoro-3,7-dimethyldibenzothiophene
CID 146657158
2,3-difluoro-6-methyl-1-benzothiophene
CID 129075425
9,23-dimethyl-14,26-dithiaheptacyclo[15.11.0.03,15.04,13.07,12.019,27.020,25]octacosa-1(28),2,4(13),5,7(12),8,10,15,17,19(27),20(25),21,23-tridecaene
CID 70935740
2-(hydroxymethyl)-6-methyl-1-benzothiophen-3-ol
CID 130803524
3-(bromomethyl)-6-methyl-1-benzothiophen-2-ol
CID 130803678

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyldibenzothiophene;5-hydroxy-3,7-dimethylbenzo[b]phosphindole?
The IUPAC name of 3,7-dimethyldibenzothiophene;5-hydroxy-3,7-dimethylbenzo[b]phosphindole (CID 143237418) is 3,7-dimethyldibenzothiophene;5-hydroxy-3,7-dimethylbenzo[b]phosphindole.
What is the SMILES notation for 3,7-dimethyldibenzothiophene;5-hydroxy-3,7-dimethylbenzo[b]phosphindole?
The canonical SMILES for 3,7-dimethyldibenzothiophene;5-hydroxy-3,7-dimethylbenzo[b]phosphindole is Cc1ccc2c(c1)sc1cc(C)ccc12.Cc1ccc2c3ccc(C)cc3p(O)c2c1.
What is the InChIKey of 3,7-dimethyldibenzothiophene;5-hydroxy-3,7-dimethylbenzo[b]phosphindole?
The InChIKey is DEHUMJVABVYMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13OP.C14H12S/c1-9-3-5-11-12-6-4-10(2)8-14(12)16(15)13(11)7-9;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9/h3-8,15H,1-2H3;3-8H,1-2H3.
What are the key properties of 3,7-dimethyldibenzothiophene;5-hydroxy-3,7-dimethylbenzo[b]phosphindole?
3,7-dimethyldibenzothiophene;5-hydroxy-3,7-dimethylbenzo[b]phosphindole has a molecular weight of 440.55 g/mol, XLogP of 9.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyldibenzothiophene;5-hydroxy-3,7-dimethylbenzo[b]phosphindole is sourced from PubChem (CID 143237418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).