1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran

C172H116N2OS7 — CID 159874105

IUPAC1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran
SMILESCn1c(-c2ccccc2)c(-c2sc(-c3ccccc3-c3ccccc3)c3ccccc23)c2ccccc21.Cn1c(-c2sc(-c3ccccc3-c3ccccc3)c3ccccc23)c(-c2ccccc2)c2ccccc21.c1ccc(-c2ccccc2-c2sc(-c3c(-c4ccccc4)oc4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3c(-c4ccccc4)sc4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3sc4ccccc4c3-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/2C35H25NS.C34H22OS.2C34H22S2/c1-36-31-23-13-12-22-30(31)32(33(36)25-16-6-3-7-17-25)35-29-21-11-10-20-28(29)34(37-35)27-19-9-8-18-26(27)24-14-4-2-5-15-24;1-36-31-23-13-12-22-30(31)32(25-16-6-3-7-17-25)33(36)35-29-21-11-10-20-28(29)34(37-35)27-19-9-8-18-26(27)24-14-4-2-5-15-24;2*1-3-13-23(14-4-1)25-17-7-8-18-26(25)33-27-19-9-10-20-28(27)34(36-33)31-29-21-11-12-22-30(29)35-32(31)24-15-5-2-6-16-24;1-3-13-23(14-4-1)25-17-7-8-18-26(25)32-27-19-9-10-20-28(27)33(36-32)34-31(24-15-5-2-6-16-24)29-21-11-12-22-30(29)35-34/h2*2-23H,1H3;3*1-22H
InChIKeyNSRHYIQNFTZKBY-UHFFFAOYSA-N
MW2451.30 g/mol
LogP52.01
Rot. Bonds20

About 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran

1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran (PubChem CID 159874105) has the molecular formula C172H116N2OS7 and a molecular weight of 2451.30 g/mol. Its IUPAC name is 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran.

Molecular Properties

Compound Name1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran
PubChem CID159874105
Molecular FormulaC172H116N2OS7
Molecular Weight2451.30 g/mol
Exact Mass2448.71
IUPAC Name1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran
SMILESCn1c(-c2ccccc2)c(-c2sc(-c3ccccc3-c3ccccc3)c3ccccc23)c2ccccc21.Cn1c(-c2sc(-c3ccccc3-c3ccccc3)c3ccccc23)c(-c2ccccc2)c2ccccc21.c1ccc(-c2ccccc2-c2sc(-c3c(-c4ccccc4)oc4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3c(-c4ccccc4)sc4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3sc4ccccc4c3-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/2C35H25NS.C34H22OS.2C34H22S2/c1-36-31-23-13-12-22-30(31)32(33(36)25-16-6-3-7-17-25)35-29-21-11-10-20-28(29)34(37-35)27-19-9-8-18-26(27)24-14-4-2-5-15-24;1-36-31-23-13-12-22-30(31)32(25-16-6-3-7-17-25)33(36)35-29-21-11-10-20-28(29)34(37-35)27-19-9-8-18-26(27)24-14-4-2-5-15-24;2*1-3-13-23(14-4-1)25-17-7-8-18-26(25)33-27-19-9-10-20-28(27)34(36-33)31-29-21-11-12-22-30(29)35-32(31)24-15-5-2-6-16-24;1-3-13-23(14-4-1)25-17-7-8-18-26(25)32-27-19-9-10-20-28(27)33(36-32)34-31(24-15-5-2-6-16-24)29-21-11-12-22-30(29)35-34/h2*2-23H,1H3;3*1-22H
InChIKeyNSRHYIQNFTZKBY-UHFFFAOYSA-N
XLogP52.01
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms182
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002451.30
LogP ≤ 552.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran with MolForge

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Related Compounds

3-[9-(8-Fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
CID 58511007
9-[(2E,4E)-4-dibenzofuran-4-yl-6-[2-[(Z)-3-fluoroprop-1-enyl]-3-methylindol-1-yl]hepta-2,4,6-trien-2-yl]carbazole
CID 134240267
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-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
CID 155135319
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135461
N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 155135485
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
[2-[3-[2,2-Bis(trimethylsilyl)ethyl]-2-tert-butylphenyl]-1-trimethylsilylethyl]-trimethylsilane;bis(1-tert-butylcyclopenta-1,3-diene);[2-[2-tert-butyl-3-[1,1-dideuterio-2,2-bis(trimethylsilyl)ethyl]phenyl]-2,2-dideuterio-1-trimethylsilylethyl]-trimethylsilane;tetrakis(2-tert-butyl-1,3-dimethylbenzene);3-tert-butylfuran;tetrakis(1-tert-butyl-2-methylbenzene);[2-(2-tert-butyl-3-methylphenyl)-2,2-dideuterio-1-trimethylsilylethyl]-trimethylsilane;[2-(2-tert-butyl-3-methylphenyl)-1-trimethylsilylethyl]-trimethylsilane;2-tert-butyl-1-methyl-3-(trifluoromethyl)benzene;1-tert-butyl-9-phenylcarbazole;9-(2-tert-butylphenyl)carbazole;4-tert-butyl-6-phenyldibenzofuran;(2-tert-butylphenyl)-trimethylsilane;3-tert-butylthiophene;1-tert-butyl-2-(trifluoromethyl)benzene;(2-tert-butyl-3-trimethylsilylphenyl)-trimethylsilane;1,2,3,5-tetradeuterio-4-(2,3-ditert-butylphenyl)-6-methylbenzene
CID 157837483
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran?
The IUPAC name of 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran (CID 159874105) is 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran.
What is the SMILES notation for 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran?
The canonical SMILES for 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran is Cn1c(-c2ccccc2)c(-c2sc(-c3ccccc3-c3ccccc3)c3ccccc23)c2ccccc21.Cn1c(-c2sc(-c3ccccc3-c3ccccc3)c3ccccc23)c(-c2ccccc2)c2ccccc21.c1ccc(-c2ccccc2-c2sc(-c3c(-c4ccccc4)oc4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3c(-c4ccccc4)sc4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3sc4ccccc4c3-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran?
The InChIKey is NSRHYIQNFTZKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H25NS.C34H22OS.2C34H22S2/c1-36-31-23-13-12-22-30(31)32(33(36)25-16-6-3-7-17-25)35-29-21-11-10-20-28(29)34(37-35)27-19-9-8-18-26(27)24-14-4-2-5-15-24;1-36-31-23-13-12-22-30(31)32(25-16-6-3-7-17-25)33(36)35-29-21-11-10-20-28(29)34(37-35)27-19-9-8-18-26(27)24-14-4-2-5-15-24;2*1-3-13-23(14-4-1)25-17-7-8-18-26(25)33-27-19-9-10-20-28(27)34(36-33)31-29-21-11-12-22-30(29)35-32(31)24-15-5-2-6-16-24;1-3-13-23(14-4-1)25-17-7-8-18-26(25)32-27-19-9-10-20-28(27)33(36-32)34-31(24-15-5-2-6-16-24)29-21-11-12-22-30(29)35-34/h2*2-23H,1H3;3*1-22H.
What are the key properties of 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran?
1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran has a molecular weight of 2451.30 g/mol, XLogP of 52.01, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-methyl-3-phenyl-2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]indole;1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzothiophene;1-(3-phenyl-1-benzothiophen-2-yl)-3-(2-phenylphenyl)-2-benzothiophene;2-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]-1-benzofuran is sourced from PubChem (CID 159874105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).