acridine;10H-acridin-9-one;anthracene;anthracene-9,10-dione;benzene;3H-benzo[a]phenalene;1,3-benzothiazole;1,1'-biphenyl;chromen-2-one;dibenzofuran;dibenzo-p-dioxin;1,3-dihydroindol-2-one;1,8-dihydropyrene;diphenylmethanone;bis(9H-fluorene);fluoren-9-one;1H-indene;naphthalene;phenanthrene;1,10-phenanthroline;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;triphenylene

C299H222N18O11S — CID 157317710

IUPACacridine;10H-acridin-9-one;anthracene;anthracene-9,10-dione;benzene;3H-benzo[a]phenalene;1,3-benzothiazole;1,1'-biphenyl;chromen-2-one;dibenzofuran;dibenzo-p-dioxin;1,3-dihydroindol-2-one;1,8-dihydropyrene;diphenylmethanone;bis(9H-fluorene);fluoren-9-one;1H-indene;naphthalene;phenanthrene;1,10-phenanthroline;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;triphenylene
SMILESC1=Cc2c3ccccc3cc3cccc(c23)C1.C1=Cc2ccc3c4c(ccc(c24)C1)CC=C3.C1=Cc2ccccc2C1.O=C(c1ccccc1)c1ccccc1.O=C1Cc2ccccc2N1.O=C1c2ccccc2-c2ccccc21.O=C1c2ccccc2C(=O)c2ccccc21.O=c1c2ccccc2[nH]c2ccccc12.O=c1ccc2ccccc2o1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Oc1ccccc1O2.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2ncccc2c1.c1ccc2scnc2c1.c1ccccc1.c1ccncc1.c1ccnnc1.c1cnc2c(c1)ccc1cccnc12.c1cnccn1.c1cncnc1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C18H12.C17H12.C16H12.C14H8O2.2C14H10.C13H9NO.C13H9N.C13H8O.C13H10O.2C13H10.C12H8N2.C12H8O2.C12H8O.C12H10.C10H8.C9H7N.C9H6O2.C9H8.C8H7NO.C7H5NS.C6H6.C5H4N4.C5H5N.3C4H4N2/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-2-9-15-13(5-1)11-14-8-3-6-12-7-4-10-16(15)17(12)14;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;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;15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;10-9-6-5-7-3-1-2-4-8(7)11-9;1-2-5-9-7-3-6-8(9)4-1;10-8-5-6-3-1-2-4-7(6)9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-4-5(8-2-6-1)9-3-7-4;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1/h1-12H;1-6,8-11H,7H2;1-3,5,7-10H,4,6H2;1-8H;2*1-10H;1-8H,(H,14,15);1-9H;1-8H;1-10H;2*1-8H,9H2;2*1-8H;1-8H;1-10H;1-8H;1-7H;1-6H;1-6H,7H2;1-4H,5H2,(H,9,10);1-5H;1-6H;1-3H,(H,6,7,8,9);1-5H;3*1-4H
InChIKeyBDUNNYZGKSMQNU-UHFFFAOYSA-N
MW4275.25 g/mol
LogP72.99
Rot. Bonds3

About acridine;10H-acridin-9-one;anthracene;anthracene-9,10-dione;benzene;3H-benzo[a]phenalene;1,3-benzothiazole;1,1'-biphenyl;chromen-2-one;dibenzofuran;dibenzo-p-dioxin;1,3-dihydroindol-2-one;1,8-dihydropyrene;diphenylmethanone;bis(9H-fluorene);fluoren-9-one;1H-indene;naphthalene;phenanthrene;1,10-phenanthroline;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;triphenylene

acridine;10H-acridin-9-one;anthracene;anthracene-9,10-dione;benzene;3H-benzo[a]phenalene;1,3-benzothiazole;1,1'-biphenyl;chromen-2-one;dibenzofuran;dibenzo-p-dioxin;1,3-dihydroindol-2-one;1,8-dihydropyrene;diphenylmethanone;bis(9H-fluorene);fluoren-9-one;1H-indene;naphthalene;phenanthrene;1,10-phenanthroline;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;triphenylene (PubChem CID 157317710) has the molecular formula C299H222N18O11S and a molecular weight of 4275.25 g/mol. Its IUPAC name is acridine;10H-acridin-9-one;anthracene;anthracene-9,10-dione;benzene;3H-benzo[a]phenalene;1,3-benzothiazole;1,1'-biphenyl;chromen-2-one;dibenzofuran;dibenzo-p-dioxin;1,3-dihydroindol-2-one;1,8-dihydropyrene;diphenylmethanone;bis(9H-fluorene);fluoren-9-one;1H-indene;naphthalene;phenanthrene;1,10-phenanthroline;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;triphenylene.

Molecular Properties

Compound Nameacridine;10H-acridin-9-one;anthracene;anthracene-9,10-dione;benzene;3H-benzo[a]phenalene;1,3-benzothiazole;1,1'-biphenyl;chromen-2-one;dibenzofuran;dibenzo-p-dioxin;1,3-dihydroindol-2-one;1,8-dihydropyrene;diphenylmethanone;bis(9H-fluorene);fluoren-9-one;1H-indene;naphthalene;phenanthrene;1,10-phenanthroline;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;triphenylene
PubChem CID157317710
Molecular FormulaC299H222N18O11S
Molecular Weight4275.25 g/mol
Exact Mass4271.71
IUPAC Nameacridine;10H-acridin-9-one;anthracene;anthracene-9,10-dione;benzene;3H-benzo[a]phenalene;1,3-benzothiazole;1,1'-biphenyl;chromen-2-one;dibenzofuran;dibenzo-p-dioxin;1,3-dihydroindol-2-one;1,8-dihydropyrene;diphenylmethanone;bis(9H-fluorene);fluoren-9-one;1H-indene;naphthalene;phenanthrene;1,10-phenanthroline;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;triphenylene
SMILESC1=Cc2c3ccccc3cc3cccc(c23)C1.C1=Cc2ccc3c4c(ccc(c24)C1)CC=C3.C1=Cc2ccccc2C1.O=C(c1ccccc1)c1ccccc1.O=C1Cc2ccccc2N1.O=C1c2ccccc2-c2ccccc21.O=C1c2ccccc2C(=O)c2ccccc21.O=c1c2ccccc2[nH]c2ccccc12.O=c1ccc2ccccc2o1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Oc1ccccc1O2.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2ncccc2c1.c1ccc2scnc2c1.c1ccccc1.c1ccncc1.c1ccnnc1.c1cnc2c(c1)ccc1cccnc12.c1cnccn1.c1cncnc1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C18H12.C17H12.C16H12.C14H8O2.2C14H10.C13H9NO.C13H9N.C13H8O.C13H10O.2C13H10.C12H8N2.C12H8O2.C12H8O.C12H10.C10H8.C9H7N.C9H6O2.C9H8.C8H7NO.C7H5NS.C6H6.C5H4N4.C5H5N.3C4H4N2/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-2-9-15-13(5-1)11-14-8-3-6-12-7-4-10-16(15)17(12)14;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;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;15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;10-9-6-5-7-3-1-2-4-8(7)11-9;1-2-5-9-7-3-6-8(9)4-1;10-8-5-6-3-1-2-4-7(6)9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-4-5(8-2-6-1)9-3-7-4;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1/h1-12H;1-6,8-11H,7H2;1-3,5,7-10H,4,6H2;1-8H;2*1-10H;1-8H,(H,14,15);1-9H;1-8H;1-10H;2*1-8H,9H2;2*1-8H;1-8H;1-10H;1-8H;1-7H;1-6H;1-6H,7H2;1-4H,5H2,(H,9,10);1-5H;1-6H;1-3H,(H,6,7,8,9);1-5H;3*1-4H
InChIKeyBDUNNYZGKSMQNU-UHFFFAOYSA-N
XLogP72.99
TPSA401.19 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds3
Heavy Atoms329
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004275.25
LogP ≤ 572.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze acridine;10H-acridin-9-one;anthracene;anthracene-9,10-dione;benzene;3H-benzo[a]phenalene;1,3-benzothiazole;1,1'-biphenyl;chromen-2-one;dibenzofuran;dibenzo-p-dioxin;1,3-dihydroindol-2-one;1,8-dihydropyrene;diphenylmethanone;bis(9H-fluorene);fluoren-9-one;1H-indene;naphthalene;phenanthrene;1,10-phenanthroline;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;triphenylene with MolForge

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Related Compounds

1H-benzimidazol-3-ium;1-benzofuran;1,3-benzothiazole;furan;1H-imidazole;1H-indazole;2-methylisoindole-1,3-dione;1,5-naphthyridine;1H-pyrazole;pyridine;1,3-thiazole;1H-1,2,4-triazole;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium
CID 157077013
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;benzene;1-benzofuran;1,3-benzothiazole;1,1'-biphenyl;1H-imidazole;1H-indole;3H-indole;methyl 2-(4-phenylphenyl)acetate;1-methyl-4-phenyltriazole;naphthalene;piperidine;bis(pyridine);quinoline
CID 157200309
tert-butylbenzene;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butylfuran;6-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-indazole);2-tert-butyl-1H-indene;5-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylquinoline;4-tert-butyl-1,3-thiazole
CID 157282486
bis(2-methyl-1H-benzimidazole);5-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;5-methylisoquinoline;8-methylisoquinoline;2-methylnaphthalene;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;8-methylquinoline;2-methyl-1,3,5-triazine;toluene
CID 157388765
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;benzene;1-benzofuran;1,3-benzothiazole;1,1'-biphenyl;1H-imidazole;1H-indole;3H-indole;methane;methyl 2-(4-phenylphenyl)acetate;1-methyl-4-phenyltriazole;naphthalene;piperidine;bis(pyridine);quinoline
CID 157445136
2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 157511078
4a,10a-dihydrodibenzo-p-dioxin;acridine;10H-acridin-9-one;anthracene;anthracene-9,10-dione;benzene;1,3-benzothiazole;1,1'-biphenyl;9H-carbazole;chromen-2-one;dibenzofuran;1,3-dihydroindol-2-one;1,8-dihydropyrene;diphenylmethanone;9H-fluorene;fluoren-9-one;1H-indene;naphthalene;phenanthrene;1,10-phenanthroline;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline
CID 157620516
anthracene;1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;chromen-2-one;dibenzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;2-methyl-1-benzofuran;phenanthrene;quinoline;quinoxaline
CID 157643332
anthracene-9,10-dione;benzene;1H-benzimidazole;4H-1,3-benzodioxine;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;chromen-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;1H-indole;isoindole-1,3-dione;isoquinoline;naphthalene;quinoline
CID 157682992
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;benzene;1-benzofuran;1,3-benzothiazole;1,1'-biphenyl;1H-indole;3H-indole;methane;methyl 2-(4-phenylphenyl)acetate;1-methyl-4-phenyltriazole;naphthalene;piperidine;pyridine;pyrimidine;1H-pyrrole;quinoline
CID 157978582
benzene;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;cyclohexene;dibenzofuran;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-1,4-benzoxazine);2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;1H-indazole;indolizine;isoquinoline;methane;naphthalene;bis(1H-pyrazolo[5,4-b]pyridine);pyridine;quinazoline;quinoline;1,3-thiazole;thieno[2,3-c]pyridine;thiophene
CID 158108363
1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;4H-1,4-benzoxazin-3-one;cinnoline;5H-cyclopenta[d]pyrimidine;1,3-dihydroimidazo[4,5-c]pyridin-2-one;2,3-dihydro-1H-indene;bis(1,3-dihydroindol-2-one);1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,4-dihydro-1H-quinazolin-2-one;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;isoquinoline;naphthalene;1,6-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;bis(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine);5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;thieno[2,3-c]pyridine;thieno[2,3-d]pyrimidine
CID 158208806

Frequently Asked Questions

What is the IUPAC name of acridine;10H-acridin-9-one;anthracene;anthracene-9,10-dione;benzene;3H-benzo[a]phenalene;1,3-benzothiazole;1,1'-biphenyl;chromen-2-one;dibenzofuran;dibenzo-p-dioxin;1,3-dihydroindol-2-one;1,8-dihydropyrene;diphenylmethanone;bis(9H-fluorene);fluoren-9-one;1H-indene;naphthalene;phenanthrene;1,10-phenanthroline;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;triphenylene?
The IUPAC name of acridine;10H-acridin-9-one;anthracene;anthracene-9,10-dione;benzene;3H-benzo[a]phenalene;1,3-benzothiazole;1,1'-biphenyl;chromen-2-one;dibenzofuran;dibenzo-p-dioxin;1,3-dihydroindol-2-one;1,8-dihydropyrene;diphenylmethanone;bis(9H-fluorene);fluoren-9-one;1H-indene;naphthalene;phenanthrene;1,10-phenanthroline;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;triphenylene (CID 157317710) is acridine;10H-acridin-9-one;anthracene;anthracene-9,10-dione;benzene;3H-benzo[a]phenalene;1,3-benzothiazole;1,1'-biphenyl;chromen-2-one;dibenzofuran;dibenzo-p-dioxin;1,3-dihydroindol-2-one;1,8-dihydropyrene;diphenylmethanone;bis(9H-fluorene);fluoren-9-one;1H-indene;naphthalene;phenanthrene;1,10-phenanthroline;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;triphenylene.
What is the SMILES notation for acridine;10H-acridin-9-one;anthracene;anthracene-9,10-dione;benzene;3H-benzo[a]phenalene;1,3-benzothiazole;1,1'-biphenyl;chromen-2-one;dibenzofuran;dibenzo-p-dioxin;1,3-dihydroindol-2-one;1,8-dihydropyrene;diphenylmethanone;bis(9H-fluorene);fluoren-9-one;1H-indene;naphthalene;phenanthrene;1,10-phenanthroline;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;triphenylene?
The canonical SMILES for acridine;10H-acridin-9-one;anthracene;anthracene-9,10-dione;benzene;3H-benzo[a]phenalene;1,3-benzothiazole;1,1'-biphenyl;chromen-2-one;dibenzofuran;dibenzo-p-dioxin;1,3-dihydroindol-2-one;1,8-dihydropyrene;diphenylmethanone;bis(9H-fluorene);fluoren-9-one;1H-indene;naphthalene;phenanthrene;1,10-phenanthroline;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;triphenylene is C1=Cc2c3ccccc3cc3cccc(c23)C1.C1=Cc2ccc3c4c(ccc(c24)C1)CC=C3.C1=Cc2ccccc2C1.O=C(c1ccccc1)c1ccccc1.O=C1Cc2ccccc2N1.O=C1c2ccccc2-c2ccccc21.O=C1c2ccccc2C(=O)c2ccccc21.O=c1c2ccccc2[nH]c2ccccc12.O=c1ccc2ccccc2o1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Oc1ccccc1O2.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2ncccc2c1.c1ccc2scnc2c1.c1ccccc1.c1ccncc1.c1ccnnc1.c1cnc2c(c1)ccc1cccnc12.c1cnccn1.c1cncnc1.c1ncc2[nH]cnc2n1.
What is the InChIKey of acridine;10H-acridin-9-one;anthracene;anthracene-9,10-dione;benzene;3H-benzo[a]phenalene;1,3-benzothiazole;1,1'-biphenyl;chromen-2-one;dibenzofuran;dibenzo-p-dioxin;1,3-dihydroindol-2-one;1,8-dihydropyrene;diphenylmethanone;bis(9H-fluorene);fluoren-9-one;1H-indene;naphthalene;phenanthrene;1,10-phenanthroline;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;triphenylene?
The InChIKey is BDUNNYZGKSMQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12.C17H12.C16H12.C14H8O2.2C14H10.C13H9NO.C13H9N.C13H8O.C13H10O.2C13H10.C12H8N2.C12H8O2.C12H8O.C12H10.C10H8.C9H7N.C9H6O2.C9H8.C8H7NO.C7H5NS.C6H6.C5H4N4.C5H5N.3C4H4N2/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-2-9-15-13(5-1)11-14-8-3-6-12-7-4-10-16(15)17(12)14;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;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;15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;10-9-6-5-7-3-1-2-4-8(7)11-9;1-2-5-9-7-3-6-8(9)4-1;10-8-5-6-3-1-2-4-7(6)9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-4-5(8-2-6-1)9-3-7-4;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1/h1-12H;1-6,8-11H,7H2;1-3,5,7-10H,4,6H2;1-8H;2*1-10H;1-8H,(H,14,15);1-9H;1-8H;1-10H;2*1-8H,9H2;2*1-8H;1-8H;1-10H;1-8H;1-7H;1-6H;1-6H,7H2;1-4H,5H2,(H,9,10);1-5H;1-6H;1-3H,(H,6,7,8,9);1-5H;3*1-4H.
What are the key properties of acridine;10H-acridin-9-one;anthracene;anthracene-9,10-dione;benzene;3H-benzo[a]phenalene;1,3-benzothiazole;1,1'-biphenyl;chromen-2-one;dibenzofuran;dibenzo-p-dioxin;1,3-dihydroindol-2-one;1,8-dihydropyrene;diphenylmethanone;bis(9H-fluorene);fluoren-9-one;1H-indene;naphthalene;phenanthrene;1,10-phenanthroline;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;triphenylene?
acridine;10H-acridin-9-one;anthracene;anthracene-9,10-dione;benzene;3H-benzo[a]phenalene;1,3-benzothiazole;1,1'-biphenyl;chromen-2-one;dibenzofuran;dibenzo-p-dioxin;1,3-dihydroindol-2-one;1,8-dihydropyrene;diphenylmethanone;bis(9H-fluorene);fluoren-9-one;1H-indene;naphthalene;phenanthrene;1,10-phenanthroline;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;triphenylene has a molecular weight of 4275.25 g/mol, XLogP of 72.99, 3 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;10H-acridin-9-one;anthracene;anthracene-9,10-dione;benzene;3H-benzo[a]phenalene;1,3-benzothiazole;1,1'-biphenyl;chromen-2-one;dibenzofuran;dibenzo-p-dioxin;1,3-dihydroindol-2-one;1,8-dihydropyrene;diphenylmethanone;bis(9H-fluorene);fluoren-9-one;1H-indene;naphthalene;phenanthrene;1,10-phenanthroline;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;triphenylene is sourced from PubChem (CID 157317710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).