4aH-carbazole;acridine;2-benzofuran;9H-carbazole;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenanthridine;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;9H-pyrido[3,4-b]indole;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene

C282H234N48O7S5 — CID 158505940

IUPAC4aH-carbazole;acridine;2-benzofuran;9H-carbazole;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenanthridine;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;9H-pyrido[3,4-b]indole;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene
SMILESC1=CC2=Nc3ccccc3C2C=C1.C1=CCN2C=CC=CC2=C1.C1=CCN=C1.C1=CCOC=C1.C1=Cc2ccccc2OC1.C1=Nc2ccccc2C1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)Cc1ccccc1O2.c1ccc2c(c1)Oc1ccccc1S2.c1ccc2c(c1)Sc1ccccc1S2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1cnccc12.c1ccc2c(c1)cnc1ccccc12.c1ccc2c[nH]cc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2cocc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccn2cccc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnc2ncccc2c1.c1cnc2nccnc2n1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1ncc2[nH]cnc2n1
InChIInChI=1S/2C13H9N.C13H10O.2C12H9N.C12H8OS.C12H8S2.C11H8N2.C9H9N.2C9H7N.C9H8O.5C8H6N2.4C8H7N.C8H6O.C7H6N2.C6H4N4.C5H4N4.C5H5N.C5H6O.3C4H4N2.2C4H5N.C4H4O.C4H4S.2C3H4N2.C3H3NO.C3H3NS/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-3-7-10-8-4-2-6-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-8-6-5(7-1)9-3-4-10-6;1-4-5(8-2-6-1)9-3-7-4;2*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;4*1-2-4-5-3-1;1-2-5-3-4-1;3*1-2-4-5-3-1/h2*1-9H;1-8H,9H2;1-8,13H;1-9H;2*1-8H;1-7,13H;1-7H,8H2;2*1-7H;1-6H,7H2;5*1-6H;1-7H;1-6,9H;1-4,6H,5H2;1-6,9H;1-6H;1-5H,(H,8,9);1-4H;1-3H,(H,6,7,8,9);1-5H;1-4H,5H2;3*1-4H;1-3H,4H2;1-5H;2*1-4H;2*1-3H,(H,4,5);2*1-3H
InChIKeyHKLSZMUKNWMSEG-UHFFFAOYSA-N
MW4567.64 g/mol
LogP67.85
Rot. Bonds

About 4aH-carbazole;acridine;2-benzofuran;9H-carbazole;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenanthridine;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;9H-pyrido[3,4-b]indole;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene

4aH-carbazole;acridine;2-benzofuran;9H-carbazole;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenanthridine;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;9H-pyrido[3,4-b]indole;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene (PubChem CID 158505940) has the molecular formula C282H234N48O7S5 and a molecular weight of 4567.64 g/mol. Its IUPAC name is 4aH-carbazole;acridine;2-benzofuran;9H-carbazole;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenanthridine;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;9H-pyrido[3,4-b]indole;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene.

Molecular Properties

Compound Name4aH-carbazole;acridine;2-benzofuran;9H-carbazole;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenanthridine;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;9H-pyrido[3,4-b]indole;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene
PubChem CID158505940
Molecular FormulaC282H234N48O7S5
Molecular Weight4567.64 g/mol
Exact Mass4563.80
IUPAC Name4aH-carbazole;acridine;2-benzofuran;9H-carbazole;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenanthridine;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;9H-pyrido[3,4-b]indole;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene
SMILESC1=CC2=Nc3ccccc3C2C=C1.C1=CCN2C=CC=CC2=C1.C1=CCN=C1.C1=CCOC=C1.C1=Cc2ccccc2OC1.C1=Nc2ccccc2C1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)Cc1ccccc1O2.c1ccc2c(c1)Oc1ccccc1S2.c1ccc2c(c1)Sc1ccccc1S2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1cnccc12.c1ccc2c(c1)cnc1ccccc12.c1ccc2c[nH]cc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2cocc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccn2cccc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnc2ncccc2c1.c1cnc2nccnc2n1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1ncc2[nH]cnc2n1
InChIInChI=1S/2C13H9N.C13H10O.2C12H9N.C12H8OS.C12H8S2.C11H8N2.C9H9N.2C9H7N.C9H8O.5C8H6N2.4C8H7N.C8H6O.C7H6N2.C6H4N4.C5H4N4.C5H5N.C5H6O.3C4H4N2.2C4H5N.C4H4O.C4H4S.2C3H4N2.C3H3NO.C3H3NS/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-3-7-10-8-4-2-6-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-8-6-5(7-1)9-3-4-10-6;1-4-5(8-2-6-1)9-3-7-4;2*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;4*1-2-4-5-3-1;1-2-5-3-4-1;3*1-2-4-5-3-1/h2*1-9H;1-8H,9H2;1-8,13H;1-9H;2*1-8H;1-7,13H;1-7H,8H2;2*1-7H;1-6H,7H2;5*1-6H;1-7H;1-6,9H;1-4,6H,5H2;1-6,9H;1-6H;1-5H,(H,8,9);1-4H;1-3H,(H,6,7,8,9);1-5H;1-4H,5H2;3*1-4H;1-3H,4H2;1-5H;2*1-4H;2*1-3H,(H,4,5);2*1-3H
InChIKeyHKLSZMUKNWMSEG-UHFFFAOYSA-N
XLogP67.85
TPSA701.44 Ų
H-Bond Donors9
H-Bond Acceptors51
Rotatable Bonds
Heavy Atoms342
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004567.64
LogP ≤ 567.85
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1051

Analyze 4aH-carbazole;acridine;2-benzofuran;9H-carbazole;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenanthridine;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;9H-pyrido[3,4-b]indole;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene with MolForge

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Related Compounds

1,3-benzothiazole;icosakis(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,2-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiolane;thiophene
CID 159186770
1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;isoquinoline;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole
CID 161427477
1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene
CID 158213920
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;cinnoline;furan;1H-imidazole;bis(1H-indole);1,2-oxazole;1,3-oxazole;phthalazine;pyrazine;1H-pyrazole;bis(pyridine);bis(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;2H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole
CID 158352591
benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;tetrakis(1H-indene);tris(3H-indole);2H-isoindole;methane;naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene
CID 160734192
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;furan;1H-imidazole;4H-imidazole;1H-indene;3H-indole;methane;naphthalene;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;[1,3]oxazolo[4,5-b]pyridine;pyrazine;bis(pyridine);bis(pyrimidine);1H-pyrrole;2H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;[1,3]thiazolo[4,5-b]pyrazine;thieno[3,2-b]thiophene;thiophene
CID 159193094
benzene;1H-benzimidazole;1-benzofuran;2-benzofuran;benzo[h]quinoline;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,3-benzoxazole;2,1-benzoxazole;9H-carbazole;bis(cyclopenta-1,3-diene);dibenzofuran;dibenzothiophene;9H-fluorene;furan;1H-indazole;1H-indene;1H-indole;2H-isoindole;naphthalene;phenanthrene;1,10-phenanthroline;pyrazine;pyridazine;pyridine;9H-pyrido[2,3-b]indole;pyrimidine;quinazoline;quinoline;quinoxaline;thiophene;1,3,5-triazine
CID 162129655
benzene;furan;1H-imidazole;isoquinoline;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole
CID 160805940
1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;3H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine
CID 159285764
azepane;1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzoxazole;cyclobutane;cyclohexane;cyclopenta-1,3-diene;bis(cyclopentane);3,4-dihydro-2H-1,4-benzoxazine;bis(2,3-dihydro-1,3-benzoxazole);bis(3,4-dihydro-2H-chromene);bis(2,3-dihydro-1H-indene);1,4-dioxane;furan;1H-imidazole;1H-indene;1H-indole;3H-indole;isoquinoline;oxane;1,3-oxazole;oxetane;oxolane;piperidine;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydronaphthalene;bis(1,2,3,4-tetrahydroquinoline);1,3-thiazole;thiophene
CID 158931826
1H-benzimidazole;1-benzothiophene;furan;1H-imidazole;1H-indole;methane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;2H-triazole
CID 161092012
benzene;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;3,4-dihydro-2H-1,4-benzoxazine;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;3,4-dihydro-2H-pyrano[3,2-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine;furan;1H-imidazole;1H-indene;3H-indole;1H-isoindole;isoquinoline;naphthalene;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 167638344

Frequently Asked Questions

What is the IUPAC name of 4aH-carbazole;acridine;2-benzofuran;9H-carbazole;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenanthridine;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;9H-pyrido[3,4-b]indole;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene?
The IUPAC name of 4aH-carbazole;acridine;2-benzofuran;9H-carbazole;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenanthridine;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;9H-pyrido[3,4-b]indole;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene (CID 158505940) is 4aH-carbazole;acridine;2-benzofuran;9H-carbazole;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenanthridine;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;9H-pyrido[3,4-b]indole;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene.
What is the SMILES notation for 4aH-carbazole;acridine;2-benzofuran;9H-carbazole;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenanthridine;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;9H-pyrido[3,4-b]indole;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene?
The canonical SMILES for 4aH-carbazole;acridine;2-benzofuran;9H-carbazole;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenanthridine;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;9H-pyrido[3,4-b]indole;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene is C1=CC2=Nc3ccccc3C2C=C1.C1=CCN2C=CC=CC2=C1.C1=CCN=C1.C1=CCOC=C1.C1=Cc2ccccc2OC1.C1=Nc2ccccc2C1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)Cc1ccccc1O2.c1ccc2c(c1)Oc1ccccc1S2.c1ccc2c(c1)Sc1ccccc1S2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1cnccc12.c1ccc2c(c1)cnc1ccccc12.c1ccc2c[nH]cc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2cocc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccn2cccc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnc2ncccc2c1.c1cnc2nccnc2n1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1ncc2[nH]cnc2n1.
What is the InChIKey of 4aH-carbazole;acridine;2-benzofuran;9H-carbazole;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenanthridine;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;9H-pyrido[3,4-b]indole;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene?
The InChIKey is HKLSZMUKNWMSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9N.C13H10O.2C12H9N.C12H8OS.C12H8S2.C11H8N2.C9H9N.2C9H7N.C9H8O.5C8H6N2.4C8H7N.C8H6O.C7H6N2.C6H4N4.C5H4N4.C5H5N.C5H6O.3C4H4N2.2C4H5N.C4H4O.C4H4S.2C3H4N2.C3H3NO.C3H3NS/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-3-7-10-8-4-2-6-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-8-6-5(7-1)9-3-4-10-6;1-4-5(8-2-6-1)9-3-7-4;2*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;4*1-2-4-5-3-1;1-2-5-3-4-1;3*1-2-4-5-3-1/h2*1-9H;1-8H,9H2;1-8,13H;1-9H;2*1-8H;1-7,13H;1-7H,8H2;2*1-7H;1-6H,7H2;5*1-6H;1-7H;1-6,9H;1-4,6H,5H2;1-6,9H;1-6H;1-5H,(H,8,9);1-4H;1-3H,(H,6,7,8,9);1-5H;1-4H,5H2;3*1-4H;1-3H,4H2;1-5H;2*1-4H;2*1-3H,(H,4,5);2*1-3H.
What are the key properties of 4aH-carbazole;acridine;2-benzofuran;9H-carbazole;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenanthridine;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;9H-pyrido[3,4-b]indole;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene?
4aH-carbazole;acridine;2-benzofuran;9H-carbazole;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenanthridine;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;9H-pyrido[3,4-b]indole;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene has a molecular weight of 4567.64 g/mol, XLogP of 67.85, 0 rotatable bonds, 9 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 4aH-carbazole;acridine;2-benzofuran;9H-carbazole;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenanthridine;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;9H-pyrido[3,4-b]indole;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene is sourced from PubChem (CID 158505940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).