anthracene;benzene;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;1,4-dimethylnaphthalene;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);2,5-dimethylpyrimidine;5,8-dimethylquinoline;5,8-dimethylquinoxaline;2,5-dimethylthiophene;ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene;naphthalene;perylene;phenanthrene;1,2,5-trimethylpyrrole

C253H285N17OS3 — CID 158656705

IUPACanthracene;benzene;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;1,4-dimethylnaphthalene;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);2,5-dimethylpyrimidine;5,8-dimethylquinoline;5,8-dimethylquinoxaline;2,5-dimethylthiophene;ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene;naphthalene;perylene;phenanthrene;1,2,5-trimethylpyrrole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c2ccccc2c(C)c2ccccc12.Cc1ccc(-c2ccc(C)s2)s1.Cc1ccc(C)c2c1cnc1ccccc12.Cc1ccc(C)c2ccccc12.Cc1ccc(C)c2nc3ccccc3nc12.Cc1ccc(C)c2ncccc12.Cc1ccc(C)c2nccnc12.Cc1ccc(C)n1C.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc(N(C)c2ccc(N(C)c3ccc(C)cc3)cc2)cc1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc2c(ccc3cc(C)cnc32)c1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C22H24N2.C20H12.C16H14.C15H13N.2C14H12N2.2C14H10.C12H12.C11H11N.C10H10N2.C10H10S2.C10H8.C7H11N.2C7H9N.2C6H8N2.C6H8O.C6H8S.C6H6.10C2H6/c1-17-5-9-19(10-6-17)23(3)21-13-15-22(16-14-21)24(4)20-11-7-18(2)8-12-20;1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;1-10-7-8-11(2)15-12-5-3-4-6-14(12)16-9-13(10)15;1-9-5-11-3-4-12-6-10(2)8-16-14(12)13(11)15-7-9;1-9-7-8-10(2)14-13(9)15-11-5-3-4-6-12(11)16-14;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-8-5-6-9(2)11-10(8)4-3-7-12-11;1-7-3-4-8(2)10-9(7)11-5-6-12-10;1-7-3-5-9(11-7)10-6-4-8(2)12-10;1-2-6-10-8-4-3-7-9(10)5-1;1-6-4-5-7(2)8(6)3;2*1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;2*1-5-3-4-6(2)7-5;1-2-4-6-5-3-1;10*1-2/h5-16H,1-4H3;1-12H;3-10H,1-2H3;3-9H,1-2H3;2*3-8H,1-2H3;2*1-10H;3-8H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;1-8H;4-5H,1-3H3;2*3-5H,1-2H3;2*3-4H,1-2H3;2*3-4H,1-2H3;1-6H;10*1-2H3
InChIKeyICFNNNVWYBWWDT-UHFFFAOYSA-N
MW3676.38 g/mol
LogP73.90
Rot. Bonds5

About anthracene;benzene;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;1,4-dimethylnaphthalene;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);2,5-dimethylpyrimidine;5,8-dimethylquinoline;5,8-dimethylquinoxaline;2,5-dimethylthiophene;ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene;naphthalene;perylene;phenanthrene;1,2,5-trimethylpyrrole

anthracene;benzene;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;1,4-dimethylnaphthalene;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);2,5-dimethylpyrimidine;5,8-dimethylquinoline;5,8-dimethylquinoxaline;2,5-dimethylthiophene;ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene;naphthalene;perylene;phenanthrene;1,2,5-trimethylpyrrole (PubChem CID 158656705) has the molecular formula C253H285N17OS3 and a molecular weight of 3676.38 g/mol. Its IUPAC name is anthracene;benzene;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;1,4-dimethylnaphthalene;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);2,5-dimethylpyrimidine;5,8-dimethylquinoline;5,8-dimethylquinoxaline;2,5-dimethylthiophene;ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene;naphthalene;perylene;phenanthrene;1,2,5-trimethylpyrrole.

Molecular Properties

Compound Nameanthracene;benzene;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;1,4-dimethylnaphthalene;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);2,5-dimethylpyrimidine;5,8-dimethylquinoline;5,8-dimethylquinoxaline;2,5-dimethylthiophene;ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene;naphthalene;perylene;phenanthrene;1,2,5-trimethylpyrrole
PubChem CID158656705
Molecular FormulaC253H285N17OS3
Molecular Weight3676.38 g/mol
Exact Mass3673.19
IUPAC Nameanthracene;benzene;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;1,4-dimethylnaphthalene;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);2,5-dimethylpyrimidine;5,8-dimethylquinoline;5,8-dimethylquinoxaline;2,5-dimethylthiophene;ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene;naphthalene;perylene;phenanthrene;1,2,5-trimethylpyrrole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c2ccccc2c(C)c2ccccc12.Cc1ccc(-c2ccc(C)s2)s1.Cc1ccc(C)c2c1cnc1ccccc12.Cc1ccc(C)c2ccccc12.Cc1ccc(C)c2nc3ccccc3nc12.Cc1ccc(C)c2ncccc12.Cc1ccc(C)c2nccnc12.Cc1ccc(C)n1C.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc(N(C)c2ccc(N(C)c3ccc(C)cc3)cc2)cc1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc2c(ccc3cc(C)cnc32)c1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C22H24N2.C20H12.C16H14.C15H13N.2C14H12N2.2C14H10.C12H12.C11H11N.C10H10N2.C10H10S2.C10H8.C7H11N.2C7H9N.2C6H8N2.C6H8O.C6H8S.C6H6.10C2H6/c1-17-5-9-19(10-6-17)23(3)21-13-15-22(16-14-21)24(4)20-11-7-18(2)8-12-20;1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;1-10-7-8-11(2)15-12-5-3-4-6-14(12)16-9-13(10)15;1-9-5-11-3-4-12-6-10(2)8-16-14(12)13(11)15-7-9;1-9-7-8-10(2)14-13(9)15-11-5-3-4-6-12(11)16-14;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-8-5-6-9(2)11-10(8)4-3-7-12-11;1-7-3-4-8(2)10-9(7)11-5-6-12-10;1-7-3-5-9(11-7)10-6-4-8(2)12-10;1-2-6-10-8-4-3-7-9(10)5-1;1-6-4-5-7(2)8(6)3;2*1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;2*1-5-3-4-6(2)7-5;1-2-4-6-5-3-1;10*1-2/h5-16H,1-4H3;1-12H;3-10H,1-2H3;3-9H,1-2H3;2*3-8H,1-2H3;2*1-10H;3-8H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;1-8H;4-5H,1-3H3;2*3-5H,1-2H3;2*3-4H,1-2H3;2*3-4H,1-2H3;1-6H;10*1-2H3
InChIKeyICFNNNVWYBWWDT-UHFFFAOYSA-N
XLogP73.90
TPSA205.01 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds5
Heavy Atoms274
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003676.38
LogP ≤ 573.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze anthracene;benzene;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;1,4-dimethylnaphthalene;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);2,5-dimethylpyrimidine;5,8-dimethylquinoline;5,8-dimethylquinoxaline;2,5-dimethylthiophene;ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene;naphthalene;perylene;phenanthrene;1,2,5-trimethylpyrrole with MolForge

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Related Compounds

tert-butylbenzene;bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine
CID 157716365
2,6-Difluoro-4-methylpyridine;3,5-difluoro-4-methylpyridine;2,4-difluoro-6-methyl-1,3,5-triazine;2-fluoro-1,5-dimethylphosphole;2-fluoro-1,5-dimethylpyrrole;2-fluoro-5-methylfuran;2-fluoro-5-methylpyrazine;3-fluoro-6-methylpyridazine;2-fluoro-3-methylpyridine;2-fluoro-4-methylpyridine;2-fluoro-5-methylpyridine;2-fluoro-6-methylpyridine;3-fluoro-2-methylpyridine;3-fluoro-4-methylpyridine;3-fluoro-5-methylpyridine;4-fluoro-2-methylpyridine;4-fluoro-3-methylpyridine;5-fluoro-2-methylpyridine;2-fluoro-5-methylpyrimidine;5-fluoro-2-methylpyrimidine;2-fluoro-8-methylquinoline;3-fluoro-8-methylquinoline;4-fluoro-8-methylquinoline;5-fluoro-8-methylquinoline;6-fluoro-8-methylquinoline;7-fluoro-8-methylquinoline;2-fluoro-5-methylthiophene;2-fluoro-1,1,5-trimethylsilole;2-methyl-5-(trifluoromethyl)pyridine;2,3,5,6-tetrafluoro-4-methylpyridine
CID 159180345
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161901264
4-[3-[8-[3-[4,6-Bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 57958245
3-[3-[3-[8-Dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole
CID 58059158
8-[2-Methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-4-[3-[8-[3-[8-(2-phenyl-3-pyridinyl)-4,6-bis(4-phenylpyrimidin-2-yl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 90305841
11-(6-Dibenzofuran-2-yl-9-phenylcarbazol-3-yl)-12-(4-dibenzothiophen-2-ylpyrimidin-2-yl)indolo[2,3-a]carbazole
CID 117862573
3-[3-[8-[3-[4,6-Bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-9-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-6-(2-pyrazin-2-yl-3-pyridinyl)pyrido[3,4-b]indole
CID 117983916
4-[3-[8-[3-[4,6-Bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 118446292
3-(4-Dibenzofuran-4-ylphenyl)-8-[12-(4,6-diphenylpyrimidin-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-5-yl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 123866598
N-methylidene-8-[3-[3-[3-[8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-4-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-8-yl]phenyl]-N'-[(Z)-1-phenylprop-1-enyl]-6-(4-phenylpyrimidin-2-yl)-2-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-4-carboximidamide
CID 134171674
2-[8-[4-[7-(Benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenyl]dibenzofuran-2-yl]-6-[10-(4-dibenzothiophen-4-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
CID 134513509

Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;1,4-dimethylnaphthalene;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);2,5-dimethylpyrimidine;5,8-dimethylquinoline;5,8-dimethylquinoxaline;2,5-dimethylthiophene;ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene;naphthalene;perylene;phenanthrene;1,2,5-trimethylpyrrole?
The IUPAC name of anthracene;benzene;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;1,4-dimethylnaphthalene;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);2,5-dimethylpyrimidine;5,8-dimethylquinoline;5,8-dimethylquinoxaline;2,5-dimethylthiophene;ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene;naphthalene;perylene;phenanthrene;1,2,5-trimethylpyrrole (CID 158656705) is anthracene;benzene;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;1,4-dimethylnaphthalene;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);2,5-dimethylpyrimidine;5,8-dimethylquinoline;5,8-dimethylquinoxaline;2,5-dimethylthiophene;ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene;naphthalene;perylene;phenanthrene;1,2,5-trimethylpyrrole.
What is the SMILES notation for anthracene;benzene;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;1,4-dimethylnaphthalene;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);2,5-dimethylpyrimidine;5,8-dimethylquinoline;5,8-dimethylquinoxaline;2,5-dimethylthiophene;ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene;naphthalene;perylene;phenanthrene;1,2,5-trimethylpyrrole?
The canonical SMILES for anthracene;benzene;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;1,4-dimethylnaphthalene;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);2,5-dimethylpyrimidine;5,8-dimethylquinoline;5,8-dimethylquinoxaline;2,5-dimethylthiophene;ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene;naphthalene;perylene;phenanthrene;1,2,5-trimethylpyrrole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c2ccccc2c(C)c2ccccc12.Cc1ccc(-c2ccc(C)s2)s1.Cc1ccc(C)c2c1cnc1ccccc12.Cc1ccc(C)c2ccccc12.Cc1ccc(C)c2nc3ccccc3nc12.Cc1ccc(C)c2ncccc12.Cc1ccc(C)c2nccnc12.Cc1ccc(C)n1C.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc(N(C)c2ccc(N(C)c3ccc(C)cc3)cc2)cc1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc2c(ccc3cc(C)cnc32)c1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of anthracene;benzene;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;1,4-dimethylnaphthalene;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);2,5-dimethylpyrimidine;5,8-dimethylquinoline;5,8-dimethylquinoxaline;2,5-dimethylthiophene;ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene;naphthalene;perylene;phenanthrene;1,2,5-trimethylpyrrole?
The InChIKey is ICFNNNVWYBWWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2.C20H12.C16H14.C15H13N.2C14H12N2.2C14H10.C12H12.C11H11N.C10H10N2.C10H10S2.C10H8.C7H11N.2C7H9N.2C6H8N2.C6H8O.C6H8S.C6H6.10C2H6/c1-17-5-9-19(10-6-17)23(3)21-13-15-22(16-14-21)24(4)20-11-7-18(2)8-12-20;1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;1-10-7-8-11(2)15-12-5-3-4-6-14(12)16-9-13(10)15;1-9-5-11-3-4-12-6-10(2)8-16-14(12)13(11)15-7-9;1-9-7-8-10(2)14-13(9)15-11-5-3-4-6-12(11)16-14;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-8-5-6-9(2)11-10(8)4-3-7-12-11;1-7-3-4-8(2)10-9(7)11-5-6-12-10;1-7-3-5-9(11-7)10-6-4-8(2)12-10;1-2-6-10-8-4-3-7-9(10)5-1;1-6-4-5-7(2)8(6)3;2*1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;2*1-5-3-4-6(2)7-5;1-2-4-6-5-3-1;10*1-2/h5-16H,1-4H3;1-12H;3-10H,1-2H3;3-9H,1-2H3;2*3-8H,1-2H3;2*1-10H;3-8H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;1-8H;4-5H,1-3H3;2*3-5H,1-2H3;2*3-4H,1-2H3;2*3-4H,1-2H3;1-6H;10*1-2H3.
What are the key properties of anthracene;benzene;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;1,4-dimethylnaphthalene;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);2,5-dimethylpyrimidine;5,8-dimethylquinoline;5,8-dimethylquinoxaline;2,5-dimethylthiophene;ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene;naphthalene;perylene;phenanthrene;1,2,5-trimethylpyrrole?
anthracene;benzene;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;1,4-dimethylnaphthalene;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);2,5-dimethylpyrimidine;5,8-dimethylquinoline;5,8-dimethylquinoxaline;2,5-dimethylthiophene;ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene;naphthalene;perylene;phenanthrene;1,2,5-trimethylpyrrole has a molecular weight of 3676.38 g/mol, XLogP of 73.90, 5 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;benzene;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;1,4-dimethylnaphthalene;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;bis(2,5-dimethylpyridine);2,5-dimethylpyrimidine;5,8-dimethylquinoline;5,8-dimethylquinoxaline;2,5-dimethylthiophene;ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene;naphthalene;perylene;phenanthrene;1,2,5-trimethylpyrrole is sourced from PubChem (CID 158656705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).