2-(3-dibenzothiophen-2-yl-5-triphenylen-1-ylphenyl)dibenzothiophene;1-methyl-6-triphenylen-2-ylbenzimidazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine

C161H101N7S2 — CID 157382932

IUPAC2-(3-dibenzothiophen-2-yl-5-triphenylen-1-ylphenyl)dibenzothiophene;1-methyl-6-triphenylen-2-ylbenzimidazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine
SMILESCn1cnc2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc21.c1ccc(-c2ccc3c4ccc(-c5ccccn5)cc4c4ccccc4c3c2)nc1.c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)nc1.c1ccc2c(c1)sc1ccc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4cccc5c6ccccc6c6ccccc6c45)c3)cc12.c1cnc2c(-c3ccc4c5ccc(-c6cccc7cccnc67)cc5c5ccccc5c4c3)cccc2c1
InChIInChI=1S/C48H28S2.C36H22N2.C28H18N2.C26H18N2.C23H15N/c1-2-11-37-35(10-1)36-12-3-4-15-40(36)48-34(16-9-17-41(37)48)33-25-31(29-20-22-46-42(27-29)38-13-5-7-18-44(38)49-46)24-32(26-33)30-21-23-47-43(28-30)39-14-6-8-19-45(39)50-47;1-2-12-30-29(11-1)33-21-25(27-13-3-7-23-9-5-19-37-35(23)27)15-17-31(33)32-18-16-26(22-34(30)32)28-14-4-8-24-10-6-20-38-36(24)28;1-2-8-22-21(7-1)25-17-19(27-9-3-5-15-29-27)11-13-23(25)24-14-12-20(18-26(22)24)28-10-4-6-16-30-28;1-28-16-27-25-13-11-18(15-26(25)28)17-10-12-23-21-8-3-2-6-19(21)20-7-4-5-9-22(20)24(23)14-17;1-2-9-19-17(7-1)18-8-3-4-10-20(18)22-15-16(12-13-21(19)22)23-11-5-6-14-24-23/h1-28H;1-22H;1-18H;2-16H,1H3;1-15H
InChIKeyBLCDOLBLOBJDSL-UHFFFAOYSA-N
MW2197.76 g/mol
LogP44.64
Rot. Bonds9

About 2-(3-dibenzothiophen-2-yl-5-triphenylen-1-ylphenyl)dibenzothiophene;1-methyl-6-triphenylen-2-ylbenzimidazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine

2-(3-dibenzothiophen-2-yl-5-triphenylen-1-ylphenyl)dibenzothiophene;1-methyl-6-triphenylen-2-ylbenzimidazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine (PubChem CID 157382932) has the molecular formula C161H101N7S2 and a molecular weight of 2197.76 g/mol. Its IUPAC name is 2-(3-dibenzothiophen-2-yl-5-triphenylen-1-ylphenyl)dibenzothiophene;1-methyl-6-triphenylen-2-ylbenzimidazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine.

Molecular Properties

Compound Name2-(3-dibenzothiophen-2-yl-5-triphenylen-1-ylphenyl)dibenzothiophene;1-methyl-6-triphenylen-2-ylbenzimidazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine
PubChem CID157382932
Molecular FormulaC161H101N7S2
Molecular Weight2197.76 g/mol
Exact Mass2195.76
IUPAC Name2-(3-dibenzothiophen-2-yl-5-triphenylen-1-ylphenyl)dibenzothiophene;1-methyl-6-triphenylen-2-ylbenzimidazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine
SMILESCn1cnc2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc21.c1ccc(-c2ccc3c4ccc(-c5ccccn5)cc4c4ccccc4c3c2)nc1.c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)nc1.c1ccc2c(c1)sc1ccc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4cccc5c6ccccc6c6ccccc6c45)c3)cc12.c1cnc2c(-c3ccc4c5ccc(-c6cccc7cccnc67)cc5c5ccccc5c4c3)cccc2c1
InChIInChI=1S/C48H28S2.C36H22N2.C28H18N2.C26H18N2.C23H15N/c1-2-11-37-35(10-1)36-12-3-4-15-40(36)48-34(16-9-17-41(37)48)33-25-31(29-20-22-46-42(27-29)38-13-5-7-18-44(38)49-46)24-32(26-33)30-21-23-47-43(28-30)39-14-6-8-19-45(39)50-47;1-2-12-30-29(11-1)33-21-25(27-13-3-7-23-9-5-19-37-35(23)27)15-17-31(33)32-18-16-26(22-34(30)32)28-14-4-8-24-10-6-20-38-36(24)28;1-2-8-22-21(7-1)25-17-19(27-9-3-5-15-29-27)11-13-23(25)24-14-12-20(18-26(22)24)28-10-4-6-16-30-28;1-28-16-27-25-13-11-18(15-26(25)28)17-10-12-23-21-8-3-2-6-19(21)20-7-4-5-9-22(20)24(23)14-17;1-2-9-19-17(7-1)18-8-3-4-10-20(18)22-15-16(12-13-21(19)22)23-11-5-6-14-24-23/h1-28H;1-22H;1-18H;2-16H,1H3;1-15H
InChIKeyBLCDOLBLOBJDSL-UHFFFAOYSA-N
XLogP44.64
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002197.76
LogP ≤ 544.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(3-dibenzothiophen-2-yl-5-triphenylen-1-ylphenyl)dibenzothiophene;1-methyl-6-triphenylen-2-ylbenzimidazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine with MolForge

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Related Compounds

3-(1-Benzothiophen-2-ylmethyl)-2-ethyl-4-methyl-6-[1-(3-methylimidazol-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinoline
CID 129131680
20-Fluoro-7-isoquinolin-5-yl-24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 132184366
5-Fluoro-20-isoquinolin-5-yl-9-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene
CID 134182650
6-(1-Phenylbenzimidazol-4-yl)-9-[5-[6-(trifluoromethyl)dibenzothiophen-2-yl]pyridin-3-yl]carbazole-3-carbonitrile
CID 134343622
5-Ethylsulfanyl-6-[3-[3-[7-[3-[3-[7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinolin-8-yl]sulfanylpropyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinolin-8-yl]sulfanylpropyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline
CID 135277921
3-Isocyano-6-(1-phenylbenzimidazol-4-yl)-9-[5-[6-(trifluoromethyl)dibenzothiophen-2-yl]-3-pyridinyl]carbazole
CID 140850527
Ethane;6-(1-phenylbenzimidazol-4-yl)-9-[5-[6-(trifluoromethyl)dibenzothiophen-2-yl]-3-pyridinyl]carbazole-3-carbonitrile
CID 145193471
13-Dibenzothiophen-4-yl-3-(8-fluoro-3-phenylbenzo[h]quinoxalin-2-yl)-5,6,7,8-tetramethyl-28-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11(16),12,14,18(27),19,21,23,25-tridecaene
CID 145390832
19-Fluoro-7-isoquinolin-5-yl-24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 146368740
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium
CID 156659137
3,7-Bis(2,6-dimethylphenyl)-2,8-dimethyl-11-(trifluoromethyl)-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene;3,7-bis(2,6-dimethylphenyl)-2,8,11-trimethyl-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene;10,18-dimethyl-3,25-diaza-10,18,27-triazoniaheptacyclo[14.10.1.03,11.04,9.012,27.017,25.019,24]heptacosa-4,6,8,10,12(27),13,15,17,19,21,23-undecaene;10,18-dithia-3,25,27-triazoniaheptacyclo[14.10.1.03,11.04,9.012,27.017,25.019,24]heptacosa-3(11),4,6,8,12(27),13,15,17(25),19,21,23-undecaene;3,19,21-triazoniapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaene;2,8,11-trimethyl-3,7-bis(2,4,6-trimethylphenyl)-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene
CID 159537615
4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;bis(4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-10-fluorobenzo[g]quinazoline);tris(iridium);1-methyl-3-phenyl-2H-benzimidazol-1-ium-2-ide;bis(1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide);tris(2-phenylpyridine)
CID 159719523

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzothiophen-2-yl-5-triphenylen-1-ylphenyl)dibenzothiophene;1-methyl-6-triphenylen-2-ylbenzimidazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine?
The IUPAC name of 2-(3-dibenzothiophen-2-yl-5-triphenylen-1-ylphenyl)dibenzothiophene;1-methyl-6-triphenylen-2-ylbenzimidazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine (CID 157382932) is 2-(3-dibenzothiophen-2-yl-5-triphenylen-1-ylphenyl)dibenzothiophene;1-methyl-6-triphenylen-2-ylbenzimidazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine.
What is the SMILES notation for 2-(3-dibenzothiophen-2-yl-5-triphenylen-1-ylphenyl)dibenzothiophene;1-methyl-6-triphenylen-2-ylbenzimidazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine?
The canonical SMILES for 2-(3-dibenzothiophen-2-yl-5-triphenylen-1-ylphenyl)dibenzothiophene;1-methyl-6-triphenylen-2-ylbenzimidazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine is Cn1cnc2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc21.c1ccc(-c2ccc3c4ccc(-c5ccccn5)cc4c4ccccc4c3c2)nc1.c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)nc1.c1ccc2c(c1)sc1ccc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4cccc5c6ccccc6c6ccccc6c45)c3)cc12.c1cnc2c(-c3ccc4c5ccc(-c6cccc7cccnc67)cc5c5ccccc5c4c3)cccc2c1.
What is the InChIKey of 2-(3-dibenzothiophen-2-yl-5-triphenylen-1-ylphenyl)dibenzothiophene;1-methyl-6-triphenylen-2-ylbenzimidazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine?
The InChIKey is BLCDOLBLOBJDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28S2.C36H22N2.C28H18N2.C26H18N2.C23H15N/c1-2-11-37-35(10-1)36-12-3-4-15-40(36)48-34(16-9-17-41(37)48)33-25-31(29-20-22-46-42(27-29)38-13-5-7-18-44(38)49-46)24-32(26-33)30-21-23-47-43(28-30)39-14-6-8-19-45(39)50-47;1-2-12-30-29(11-1)33-21-25(27-13-3-7-23-9-5-19-37-35(23)27)15-17-31(33)32-18-16-26(22-34(30)32)28-14-4-8-24-10-6-20-38-36(24)28;1-2-8-22-21(7-1)25-17-19(27-9-3-5-15-29-27)11-13-23(25)24-14-12-20(18-26(22)24)28-10-4-6-16-30-28;1-28-16-27-25-13-11-18(15-26(25)28)17-10-12-23-21-8-3-2-6-19(21)20-7-4-5-9-22(20)24(23)14-17;1-2-9-19-17(7-1)18-8-3-4-10-20(18)22-15-16(12-13-21(19)22)23-11-5-6-14-24-23/h1-28H;1-22H;1-18H;2-16H,1H3;1-15H.
What are the key properties of 2-(3-dibenzothiophen-2-yl-5-triphenylen-1-ylphenyl)dibenzothiophene;1-methyl-6-triphenylen-2-ylbenzimidazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine?
2-(3-dibenzothiophen-2-yl-5-triphenylen-1-ylphenyl)dibenzothiophene;1-methyl-6-triphenylen-2-ylbenzimidazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine has a molecular weight of 2197.76 g/mol, XLogP of 44.64, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzothiophen-2-yl-5-triphenylen-1-ylphenyl)dibenzothiophene;1-methyl-6-triphenylen-2-ylbenzimidazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine is sourced from PubChem (CID 157382932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).