5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran

C57H35NO2S5 — CID 123292338

IUPAC5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran
SMILESCn1ccc2cc(-c3ccc4oc5ccc(-c6cc7ccccc7s6)cc5c4c3)ccc21.c1csc(-c2ccc(-c3ccc4oc5ccc(-c6ccc(-c7cccs7)s6)cc5c4c3)s2)c1
InChIInChI=1S/C29H19NOS.C28H16OS4/c1-30-13-12-20-14-18(6-9-25(20)30)19-7-10-26-23(15-19)24-16-22(8-11-27(24)31-26)29-17-21-4-2-3-5-28(21)32-29;1-3-25(30-13-1)27-11-9-23(32-27)17-5-7-21-19(15-17)20-16-18(6-8-22(20)29-21)24-10-12-28(33-24)26-4-2-14-31-26/h2-17H,1H3;1-16H
InChIKeyHONXETZIYNZJBD-UHFFFAOYSA-N
MW926.25 g/mol
LogP19.13
Rot. Bonds6

About 5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran

5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran (PubChem CID 123292338) has the molecular formula C57H35NO2S5 and a molecular weight of 926.25 g/mol. Its IUPAC name is 5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran.

Molecular Properties

Compound Name5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran
PubChem CID123292338
Molecular FormulaC57H35NO2S5
Molecular Weight926.25 g/mol
Exact Mass925.13
IUPAC Name5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran
SMILESCn1ccc2cc(-c3ccc4oc5ccc(-c6cc7ccccc7s6)cc5c4c3)ccc21.c1csc(-c2ccc(-c3ccc4oc5ccc(-c6ccc(-c7cccs7)s6)cc5c4c3)s2)c1
InChIInChI=1S/C29H19NOS.C28H16OS4/c1-30-13-12-20-14-18(6-9-25(20)30)19-7-10-26-23(15-19)24-16-22(8-11-27(24)31-26)29-17-21-4-2-3-5-28(21)32-29;1-3-25(30-13-1)27-11-9-23(32-27)17-5-7-21-19(15-17)20-16-18(6-8-22(20)29-21)24-10-12-28(33-24)26-4-2-14-31-26/h2-17H,1H3;1-16H
InChIKeyHONXETZIYNZJBD-UHFFFAOYSA-N
XLogP19.13
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.25
LogP ≤ 519.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-methylcarbazole
CID 134337714
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-(trifluoromethyl)carbazole
CID 134343628
6-Dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole
CID 146368869
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135461
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135572
[7-[Bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]dibenzofuran-3-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[7-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[6-[5-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-2-pyridinyl]-3-pyridinyl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]dibenzothiophen-3-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane
CID 157655597
9-(10-Anthracen-9-ylanthracen-9-yl)-11,11-dimethylphenanthro[1,2-b][1]benzosilole;11,11-diphenyl-9-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenanthro[1,2-b][1]benzosilole;11,11-diphenyl-9-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzosilole;9-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-11,11-diphenylphenanthro[1,2-b][1]benzosilole;9-[10-(4-octylanthracen-9-yl)anthracen-9-yl]-11,11-diphenylphenanthro[1,2-b][1]benzosilole;19-[10-(10-phenanthren-3-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-[10-(10-phenanthro[1,2-b][1]benzothiol-9-ylanthracen-9-yl)anthracen-9-yl]-9-phenylcarbazole
CID 157847024
1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-3-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(2,5-dimethylfuran-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 158307601
cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 158835435
3,7-Bis[bis(4-fluorophenyl)phosphoryl]dibenzofuran;2,7-bis[bis(4-fluorophenyl)phosphoryl]-9-phenylcarbazole;5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine;2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran;2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzothiophene
CID 159199834
5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;bis(3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine)
CID 159623500
1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-3-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-3-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(2,5-dimethylfuran-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 159986129

Frequently Asked Questions

What is the IUPAC name of 5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran?
The IUPAC name of 5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran (CID 123292338) is 5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran.
What is the SMILES notation for 5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran?
The canonical SMILES for 5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran is Cn1ccc2cc(-c3ccc4oc5ccc(-c6cc7ccccc7s6)cc5c4c3)ccc21.c1csc(-c2ccc(-c3ccc4oc5ccc(-c6ccc(-c7cccs7)s6)cc5c4c3)s2)c1.
What is the InChIKey of 5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran?
The InChIKey is HONXETZIYNZJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19NOS.C28H16OS4/c1-30-13-12-20-14-18(6-9-25(20)30)19-7-10-26-23(15-19)24-16-22(8-11-27(24)31-26)29-17-21-4-2-3-5-28(21)32-29;1-3-25(30-13-1)27-11-9-23(32-27)17-5-7-21-19(15-17)20-16-18(6-8-22(20)29-21)24-10-12-28(33-24)26-4-2-14-31-26/h2-17H,1H3;1-16H.
What are the key properties of 5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran?
5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran has a molecular weight of 926.25 g/mol, XLogP of 19.13, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran is sourced from PubChem (CID 123292338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).