anthracene;benzene;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N,4-dimethylaniline;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;5,8-dimethylisoquinoline;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;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

C279H311N21OS3 — CID 157101299

IUPACanthracene;benzene;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N,4-dimethylaniline;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;5,8-dimethylisoquinoline;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;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)c2cnccc12.Cc1ccc(C)c2nc3ccccc3nc12.Cc1ccc(C)c2ncccc12.Cc1ccc(C)c2nccnc12.Cc1ccc(C)n1C.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc(N(C)c2ccc(-c3ccc(N(C)c4ccc(C)cc4)cc3)cc2)cc1.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/C28H28N2.C22H24N2.C20H12.C16H14.C15H13N.2C14H12N2.2C14H10.2C11H11N.C10H10N2.C10H10S2.C10H8.C7H11N.C7H9N.3C6H8N2.C6H8O.C6H8S.C6H6.10C2H6/c1-21-5-13-25(14-6-21)29(3)27-17-9-23(10-18-27)24-11-19-28(20-12-24)30(4)26-15-7-22(2)8-16-26;1-17-5-9-19(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;1-8-3-4-9(2)11-7-12-6-5-10(8)11;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;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;1-5-3-4-6(2)8-7-5;2*1-5-3-4-6(2)7-5;1-2-4-6-5-3-1;10*1-2/h5-20H,1-4H3;5-16H,1-4H3;1-12H;3-10H,1-2H3;3-9H,1-2H3;2*3-8H,1-2H3;2*1-10H;2*3-7H,1-2H3;2*3-6H,1-2H3;1-8H;4-5H,1-3H3;3-5H,1-2H3;3*3-4H,1-2H3;2*3-4H,1-2H3;1-6H;10*1-2H3
InChIKeyAFUFWVHPCNRWML-UHFFFAOYSA-N
MW4070.90 g/mol
LogP80.20
Rot. Bonds10

About anthracene;benzene;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N,4-dimethylaniline;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;5,8-dimethylisoquinoline;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;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;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N,4-dimethylaniline;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;5,8-dimethylisoquinoline;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;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 157101299) has the molecular formula C279H311N21OS3 and a molecular weight of 4070.90 g/mol. Its IUPAC name is anthracene;benzene;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N,4-dimethylaniline;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;5,8-dimethylisoquinoline;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;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;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N,4-dimethylaniline;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;5,8-dimethylisoquinoline;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;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 CID157101299
Molecular FormulaC279H311N21OS3
Molecular Weight4070.90 g/mol
Exact Mass4067.41
IUPAC Nameanthracene;benzene;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N,4-dimethylaniline;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;5,8-dimethylisoquinoline;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;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)c2cnccc12.Cc1ccc(C)c2nc3ccccc3nc12.Cc1ccc(C)c2ncccc12.Cc1ccc(C)c2nccnc12.Cc1ccc(C)n1C.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc(N(C)c2ccc(-c3ccc(N(C)c4ccc(C)cc4)cc3)cc2)cc1.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/C28H28N2.C22H24N2.C20H12.C16H14.C15H13N.2C14H12N2.2C14H10.2C11H11N.C10H10N2.C10H10S2.C10H8.C7H11N.C7H9N.3C6H8N2.C6H8O.C6H8S.C6H6.10C2H6/c1-21-5-13-25(14-6-21)29(3)27-17-9-23(10-18-27)24-11-19-28(20-12-24)30(4)26-15-7-22(2)8-16-26;1-17-5-9-19(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;1-8-3-4-9(2)11-7-12-6-5-10(8)11;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;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;1-5-3-4-6(2)8-7-5;2*1-5-3-4-6(2)7-5;1-2-4-6-5-3-1;10*1-2/h5-20H,1-4H3;5-16H,1-4H3;1-12H;3-10H,1-2H3;3-9H,1-2H3;2*3-8H,1-2H3;2*1-10H;2*3-7H,1-2H3;2*3-6H,1-2H3;1-8H;4-5H,1-3H3;3-5H,1-2H3;3*3-4H,1-2H3;2*3-4H,1-2H3;1-6H;10*1-2H3
InChIKeyAFUFWVHPCNRWML-UHFFFAOYSA-N
XLogP80.20
TPSA237.27 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds10
Heavy Atoms304
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004070.90
LogP ≤ 580.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

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;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N,4-dimethylaniline;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;5,8-dimethylisoquinoline;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;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

2,5-Dimethylfuran;2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,4-dimethylpyridazine;3,5-dimethylpyridazine;3,6-dimethylpyridazine;4,5-dimethylpyridazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,6-dimethylpyrimidine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;2,3,4,5-tetramethylpyridine;2,4,5,6-tetramethylpyrimidine;2,3,5-trimethylpyrazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyrimidine;2,4,6-trimethylpyrimidine;2,4,6-trimethyl-1,3,5-triazine
CID 158067061
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
1-Tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;9-phenyl-3-propan-2-ylcarbazole;2-propan-2-ylanthracene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane
CID 162115337
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
4-Dibenzofuran-2-yl-17-[4-[2-[17-[4-[2-(17-dibenzothiophen-2-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)dibenzothiophen-4-yl]dibenzothiophen-2-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 139484028
4-Dibenzofuran-3-yl-17-[6-[7-(17-dibenzothiophen-3-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 139484205
4-(3-Dibenzofuran-3-ylphenyl)-10-[2-dibenzothiophen-4-yl-4-[17-(3-dibenzothiophen-4-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl]phenyl]-17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene
CID 139484354
2-[6-(1-Benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-ylnaphthalen-1-yl]quinoxaline
CID 141292518
2-[7-[4-[4-Dibenzofuran-4-yl-6-(9-isoquinolin-3-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]-9-[4-(3-phenylphenyl)-6-[4-[3-[4-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]dibenzothiophen-1-yl]pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-4-phenylquinazoline
CID 154939357
2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;4,6-dimethylpteridine;bis(2,6-dimethylpyridine);2,5-dimethylthiophene;methane;1,2,6-trimethylbenzimidazole;1,2,6-trimethylindole;bis(1,3-xylene)
CID 157052667
2-[6-[3,5-Bis(3-dibenzothiophen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]-1,10-phenanthroline;2-[3-[6-[3,5-bis(3-dibenzothiophen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;4-dibenzofuran-2-yl-7-dibenzofuran-4-yl-2,9-diphenylpyrido[3,2-h]quinazoline;2-dibenzofuran-2-yl-4,7,9-triphenylpyrido[3,2-h]quinazoline;4-dibenzofuran-2-yl-2,7,9-triphenylpyrido[3,2-h]quinazoline
CID 157056801

Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N,4-dimethylaniline;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;5,8-dimethylisoquinoline;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;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;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N,4-dimethylaniline;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;5,8-dimethylisoquinoline;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;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 157101299) is anthracene;benzene;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N,4-dimethylaniline;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;5,8-dimethylisoquinoline;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;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;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N,4-dimethylaniline;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;5,8-dimethylisoquinoline;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;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;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N,4-dimethylaniline;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;5,8-dimethylisoquinoline;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;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)c2cnccc12.Cc1ccc(C)c2nc3ccccc3nc12.Cc1ccc(C)c2ncccc12.Cc1ccc(C)c2nccnc12.Cc1ccc(C)n1C.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc(N(C)c2ccc(-c3ccc(N(C)c4ccc(C)cc4)cc3)cc2)cc1.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;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N,4-dimethylaniline;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;5,8-dimethylisoquinoline;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;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 AFUFWVHPCNRWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2.C22H24N2.C20H12.C16H14.C15H13N.2C14H12N2.2C14H10.2C11H11N.C10H10N2.C10H10S2.C10H8.C7H11N.C7H9N.3C6H8N2.C6H8O.C6H8S.C6H6.10C2H6/c1-21-5-13-25(14-6-21)29(3)27-17-9-23(10-18-27)24-11-19-28(20-12-24)30(4)26-15-7-22(2)8-16-26;1-17-5-9-19(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;1-8-3-4-9(2)11-7-12-6-5-10(8)11;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;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;1-5-3-4-6(2)8-7-5;2*1-5-3-4-6(2)7-5;1-2-4-6-5-3-1;10*1-2/h5-20H,1-4H3;5-16H,1-4H3;1-12H;3-10H,1-2H3;3-9H,1-2H3;2*3-8H,1-2H3;2*1-10H;2*3-7H,1-2H3;2*3-6H,1-2H3;1-8H;4-5H,1-3H3;3-5H,1-2H3;3*3-4H,1-2H3;2*3-4H,1-2H3;1-6H;10*1-2H3.
What are the key properties of anthracene;benzene;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N,4-dimethylaniline;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;5,8-dimethylisoquinoline;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;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;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N,4-dimethylaniline;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;5,8-dimethylisoquinoline;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;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 4070.90 g/mol, XLogP of 80.20, 10 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;benzene;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N,4-dimethylaniline;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;5,8-dimethylisoquinoline;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;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 157101299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).