acetonitrile;anisole;10b,10c-dihydropyrene;tetrakis(1,1'-biphenyl);cyclohexylbenzene;deuteriomethane;bis(dibenzothiophene);pentadecakis(2,2-dimethylpropane);2,3-dimethylquinoxaline;fluoromethane;1H-indene;1,10-phenanthroline;bis(9-phenylcarbazole);pyridine;tetramethylsilane;toluene

C269H359FN8OS2Si — CID 164994038

IUPACacetonitrile;anisole;10b,10c-dihydropyrene;tetrakis(1,1'-biphenyl);cyclohexylbenzene;deuteriomethane;bis(dibenzothiophene);pentadecakis(2,2-dimethylpropane);2,3-dimethylquinoxaline;fluoromethane;1H-indene;1,10-phenanthroline;bis(9-phenylcarbazole);pyridine;tetramethylsilane;toluene
SMILESC1=CC2=CC=C3C=CC=C4C=CC(=C1)C2C43.C1=Cc2ccccc2C1.CC#N.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CF.COc1ccccc1.C[Si](C)(C)C.Cc1ccccc1.Cc1nc2ccccc2nc1C.[2H]C.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(C2CCCCC2)cc1.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccncc1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C18H13N.C16H12.C12H8N2.2C12H8S.C12H16.4C12H10.C10H10N2.C9H8.C7H8O.C7H8.C5H5N.15C5H12.C4H12Si.C2H3N.CH3F.CH4/c2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;5*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-8(2)12-10-6-4-3-5-9(10)11-7;1-2-5-9-7-3-6-8(9)4-1;1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;16*1-5(2,3)4;1-2-3;1-2;/h2*1-13H;1-10,15-16H;1-8H;2*1-8H;1,3-4,7-8,12H,2,5-6,9-10H2;4*1-10H;3-6H,1-2H3;1-6H,7H2;2-6H,1H3;2-6H,1H3;1-5H;16*1-4H3;1H3;1H3;1H4/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1D
InChIKeyHHDNPGGDQLMFNO-POBXISQHSA-N
MW3833.11 g/mol
LogP85.02
Rot. Bonds8

About acetonitrile;anisole;10b,10c-dihydropyrene;tetrakis(1,1'-biphenyl);cyclohexylbenzene;deuteriomethane;bis(dibenzothiophene);pentadecakis(2,2-dimethylpropane);2,3-dimethylquinoxaline;fluoromethane;1H-indene;1,10-phenanthroline;bis(9-phenylcarbazole);pyridine;tetramethylsilane;toluene

acetonitrile;anisole;10b,10c-dihydropyrene;tetrakis(1,1'-biphenyl);cyclohexylbenzene;deuteriomethane;bis(dibenzothiophene);pentadecakis(2,2-dimethylpropane);2,3-dimethylquinoxaline;fluoromethane;1H-indene;1,10-phenanthroline;bis(9-phenylcarbazole);pyridine;tetramethylsilane;toluene (PubChem CID 164994038) has the molecular formula C269H359FN8OS2Si and a molecular weight of 3833.11 g/mol. Its IUPAC name is acetonitrile;anisole;10b,10c-dihydropyrene;tetrakis(1,1'-biphenyl);cyclohexylbenzene;deuteriomethane;bis(dibenzothiophene);pentadecakis(2,2-dimethylpropane);2,3-dimethylquinoxaline;fluoromethane;1H-indene;1,10-phenanthroline;bis(9-phenylcarbazole);pyridine;tetramethylsilane;toluene.

Molecular Properties

Compound Nameacetonitrile;anisole;10b,10c-dihydropyrene;tetrakis(1,1'-biphenyl);cyclohexylbenzene;deuteriomethane;bis(dibenzothiophene);pentadecakis(2,2-dimethylpropane);2,3-dimethylquinoxaline;fluoromethane;1H-indene;1,10-phenanthroline;bis(9-phenylcarbazole);pyridine;tetramethylsilane;toluene
PubChem CID164994038
Molecular FormulaC269H359FN8OS2Si
Molecular Weight3833.11 g/mol
Exact Mass3829.75
IUPAC Nameacetonitrile;anisole;10b,10c-dihydropyrene;tetrakis(1,1'-biphenyl);cyclohexylbenzene;deuteriomethane;bis(dibenzothiophene);pentadecakis(2,2-dimethylpropane);2,3-dimethylquinoxaline;fluoromethane;1H-indene;1,10-phenanthroline;bis(9-phenylcarbazole);pyridine;tetramethylsilane;toluene
SMILESC1=CC2=CC=C3C=CC=C4C=CC(=C1)C2C43.C1=Cc2ccccc2C1.CC#N.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CF.COc1ccccc1.C[Si](C)(C)C.Cc1ccccc1.Cc1nc2ccccc2nc1C.[2H]C.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(C2CCCCC2)cc1.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccncc1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C18H13N.C16H12.C12H8N2.2C12H8S.C12H16.4C12H10.C10H10N2.C9H8.C7H8O.C7H8.C5H5N.15C5H12.C4H12Si.C2H3N.CH3F.CH4/c2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;5*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-8(2)12-10-6-4-3-5-9(10)11-7;1-2-5-9-7-3-6-8(9)4-1;1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;16*1-5(2,3)4;1-2-3;1-2;/h2*1-13H;1-10,15-16H;1-8H;2*1-8H;1,3-4,7-8,12H,2,5-6,9-10H2;4*1-10H;3-6H,1-2H3;1-6H,7H2;2-6H,1H3;2-6H,1H3;1-5H;16*1-4H3;1H3;1H3;1H4/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1D
InChIKeyHHDNPGGDQLMFNO-POBXISQHSA-N
XLogP85.02
TPSA107.33 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms282
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003833.11
LogP ≤ 585.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze acetonitrile;anisole;10b,10c-dihydropyrene;tetrakis(1,1'-biphenyl);cyclohexylbenzene;deuteriomethane;bis(dibenzothiophene);pentadecakis(2,2-dimethylpropane);2,3-dimethylquinoxaline;fluoromethane;1H-indene;1,10-phenanthroline;bis(9-phenylcarbazole);pyridine;tetramethylsilane;toluene with MolForge

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Related Compounds

10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-(3,5-dimethylphenyl)pyridine;5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoselenazin-3-ide;2-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyridine;pentakis(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-[8-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine
CID 157104898
10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-(3,5-dimethylphenyl)pyridine;5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-[8-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine
CID 161026889
4,20-bis(1-benzothiophen-3-yl)-12-thia-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4,20-bis(9-phenylcarbazol-3-yl)-12-thia-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-thia-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-4-yl]aniline;4,20-dipyridin-3-yl-12-thia-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-thia-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 157065891
2-(7-Dibenzothiophen-2-ylphenanthren-2-yl)-1,10-phenanthroline;2-(7-dibenzothiophen-4-ylphenanthren-2-yl)-1,10-phenanthroline;8-methoxy-1-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-c]pyridine;2-(4-naphtho[1,2-b][1]benzothiol-6-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(4-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-9-phenyl-1,10-phenanthroline
CID 158524977
[4-tert-butyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;bis(2-(2H-dibenzothiophen-2-id-3-yl)pyridine);tris(iridium);9-phenyl-2-pyridin-2-yl-3H-carbazol-3-ide;trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3-phenoxybenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane
CID 158620382
[4-tert-butyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tris(2-(2H-dibenzothiophen-2-id-3-yl)pyridine);tetrakis(iridium);9-phenyl-2-pyridin-2-yl-3H-carbazol-3-ide;trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-[6-(3-phenoxybenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane)
CID 159698771
2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;bis(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine
CID 160007038
2,8-Bis(diphenylphosphoryl)dibenzothiophene;[3-[2-(3-tert-butylphenyl)-7,7-diphenyl-3,4-dihydrocyclopenta[a]pentalen-5-yl]phenyl]-trimethylsilane;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane
CID 160213184
Bis[3-(2-dibenzothiophen-4-yl-7-phenyl-9-pyridin-2-yl-1,10-phenanthrolin-4-yl)phenyl]-diphenylsilane;bis[3-[2-(9,9-dimethylxanthen-4-yl)-7-phenyl-9-pyridin-2-yl-1,10-phenanthrolin-4-yl]phenyl]-diphenylsilane;triphenyl-[3-(7-phenyl-9-pyridin-2-yl-2-quinolin-8-yl-1,10-phenanthrolin-4-yl)phenyl]silane;triphenyl-[3-(7-phenyl-2-quinolin-8-yl-1,10-phenanthrolin-4-yl)phenyl]silane
CID 160532428
2-[5-[2,3-Bis(4-methoxyphenyl)-8-(5-methylthiophen-2-yl)quinoxalin-5-yl]thiophen-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-bis(4-phenylphenyl)quinoxalin-5-yl]thiophen-2-yl]carbazole;9-heptadecan-9-yl-2-methyl-7-[5-[8-(5-methylthiophen-2-yl)-2,3-dinaphthalen-1-ylquinoxalin-5-yl]thiophen-2-yl]carbazole
CID 160782763
[4-tert-butyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2H-dibenzothiophen-2-id-3-yl)pyridine;tris(iridium);bis(9-phenyl-2-pyridin-2-yl-3H-carbazol-3-ide);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3-phenoxybenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane
CID 160796723
2,8-Bis(diphenylphosphoryl)dibenzothiophene;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;[3-[7,7-diphenyl-5-(3-trimethylsilylphenyl)-3,4-dihydrocyclopenta[a]pentalen-2-yl]phenyl]-trimethylsilane
CID 160950760

Frequently Asked Questions

What is the IUPAC name of acetonitrile;anisole;10b,10c-dihydropyrene;tetrakis(1,1'-biphenyl);cyclohexylbenzene;deuteriomethane;bis(dibenzothiophene);pentadecakis(2,2-dimethylpropane);2,3-dimethylquinoxaline;fluoromethane;1H-indene;1,10-phenanthroline;bis(9-phenylcarbazole);pyridine;tetramethylsilane;toluene?
The IUPAC name of acetonitrile;anisole;10b,10c-dihydropyrene;tetrakis(1,1'-biphenyl);cyclohexylbenzene;deuteriomethane;bis(dibenzothiophene);pentadecakis(2,2-dimethylpropane);2,3-dimethylquinoxaline;fluoromethane;1H-indene;1,10-phenanthroline;bis(9-phenylcarbazole);pyridine;tetramethylsilane;toluene (CID 164994038) is acetonitrile;anisole;10b,10c-dihydropyrene;tetrakis(1,1'-biphenyl);cyclohexylbenzene;deuteriomethane;bis(dibenzothiophene);pentadecakis(2,2-dimethylpropane);2,3-dimethylquinoxaline;fluoromethane;1H-indene;1,10-phenanthroline;bis(9-phenylcarbazole);pyridine;tetramethylsilane;toluene.
What is the SMILES notation for acetonitrile;anisole;10b,10c-dihydropyrene;tetrakis(1,1'-biphenyl);cyclohexylbenzene;deuteriomethane;bis(dibenzothiophene);pentadecakis(2,2-dimethylpropane);2,3-dimethylquinoxaline;fluoromethane;1H-indene;1,10-phenanthroline;bis(9-phenylcarbazole);pyridine;tetramethylsilane;toluene?
The canonical SMILES for acetonitrile;anisole;10b,10c-dihydropyrene;tetrakis(1,1'-biphenyl);cyclohexylbenzene;deuteriomethane;bis(dibenzothiophene);pentadecakis(2,2-dimethylpropane);2,3-dimethylquinoxaline;fluoromethane;1H-indene;1,10-phenanthroline;bis(9-phenylcarbazole);pyridine;tetramethylsilane;toluene is C1=CC2=CC=C3C=CC=C4C=CC(=C1)C2C43.C1=Cc2ccccc2C1.CC#N.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CF.COc1ccccc1.C[Si](C)(C)C.Cc1ccccc1.Cc1nc2ccccc2nc1C.[2H]C.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(C2CCCCC2)cc1.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccncc1.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of acetonitrile;anisole;10b,10c-dihydropyrene;tetrakis(1,1'-biphenyl);cyclohexylbenzene;deuteriomethane;bis(dibenzothiophene);pentadecakis(2,2-dimethylpropane);2,3-dimethylquinoxaline;fluoromethane;1H-indene;1,10-phenanthroline;bis(9-phenylcarbazole);pyridine;tetramethylsilane;toluene?
The InChIKey is HHDNPGGDQLMFNO-POBXISQHSA-N. The full InChI is InChI=1S/2C18H13N.C16H12.C12H8N2.2C12H8S.C12H16.4C12H10.C10H10N2.C9H8.C7H8O.C7H8.C5H5N.15C5H12.C4H12Si.C2H3N.CH3F.CH4/c2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;5*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-8(2)12-10-6-4-3-5-9(10)11-7;1-2-5-9-7-3-6-8(9)4-1;1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;16*1-5(2,3)4;1-2-3;1-2;/h2*1-13H;1-10,15-16H;1-8H;2*1-8H;1,3-4,7-8,12H,2,5-6,9-10H2;4*1-10H;3-6H,1-2H3;1-6H,7H2;2-6H,1H3;2-6H,1H3;1-5H;16*1-4H3;1H3;1H3;1H4/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1D.
What are the key properties of acetonitrile;anisole;10b,10c-dihydropyrene;tetrakis(1,1'-biphenyl);cyclohexylbenzene;deuteriomethane;bis(dibenzothiophene);pentadecakis(2,2-dimethylpropane);2,3-dimethylquinoxaline;fluoromethane;1H-indene;1,10-phenanthroline;bis(9-phenylcarbazole);pyridine;tetramethylsilane;toluene?
acetonitrile;anisole;10b,10c-dihydropyrene;tetrakis(1,1'-biphenyl);cyclohexylbenzene;deuteriomethane;bis(dibenzothiophene);pentadecakis(2,2-dimethylpropane);2,3-dimethylquinoxaline;fluoromethane;1H-indene;1,10-phenanthroline;bis(9-phenylcarbazole);pyridine;tetramethylsilane;toluene has a molecular weight of 3833.11 g/mol, XLogP of 85.02, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;anisole;10b,10c-dihydropyrene;tetrakis(1,1'-biphenyl);cyclohexylbenzene;deuteriomethane;bis(dibenzothiophene);pentadecakis(2,2-dimethylpropane);2,3-dimethylquinoxaline;fluoromethane;1H-indene;1,10-phenanthroline;bis(9-phenylcarbazole);pyridine;tetramethylsilane;toluene is sourced from PubChem (CID 164994038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).