4aH-carbazole;benzo[g]quinoline;9H-carbazole;cinnoline;3,4-dihydro-2H-chromene;4,5-dihydro-1H-imidazole;3,4-dihydro-1H-isochromene;7,8-dihydro-1,7-phenanthroline;5,10-dihydrophenarsazinine;5,10-dihydrophenazine;imidazolidine;methane;1,8-naphthyridine;1,2,5-oxadiazole;1H-perimidine;phenanthridine;10H-phenothiazine;10H-phenoxazine;pyrazino[2,3-b]pyrazine;9H-pyrido[3,4-b]indole;quinazoline;quinoxaline

C217H248AsN33O4S — CID 158655939

IUPAC4aH-carbazole;benzo[g]quinoline;9H-carbazole;cinnoline;3,4-dihydro-2H-chromene;4,5-dihydro-1H-imidazole;3,4-dihydro-1H-isochromene;7,8-dihydro-1,7-phenanthroline;5,10-dihydrophenarsazinine;5,10-dihydrophenazine;imidazolidine;methane;1,8-naphthyridine;1,2,5-oxadiazole;1H-perimidine;phenanthridine;10H-phenothiazine;10H-phenoxazine;pyrazino[2,3-b]pyrazine;9H-pyrido[3,4-b]indole;quinazoline;quinoxaline
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1=CC2=Nc3ccccc3C2C=C1.C1=Cc2c(ccc3cccnc23)NC1.C1=NCCN1.C1=Nc2cccc3cccc(c23)N1.C1CNCN1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)Nc1ccccc1N2.c1ccc2c(c1)Nc1ccccc1O2.c1ccc2c(c1)Nc1ccccc1S2.c1ccc2c(c1)Nc1ccccc1[AsH]2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1cnccc12.c1ccc2c(c1)cnc1ccccc12.c1ccc2cc3ncccc3cc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1cnc2ncccc2c1.c1cnc2nccnc2n1.c1cnon1
InChIInChI=1S/2C13H9N.C12H10AsN.2C12H10N2.C12H9NO.C12H9NS.2C12H9N.2C11H8N2.2C9H10O.4C8H6N2.C6H4N4.C3H8N2.C3H6N2.C2H2N2O.21CH4/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;2*1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-8-4-2-6-10-11(8)9(5-1)12-7-13-10;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-2-8-6-5(7-1)9-3-4-10-6;2*1-2-5-3-4-1;1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;/h2*1-9H;1-8,13-14H;1-6,8,13H,7H2;1-8,13-14H;2*1-8,13H;1-8,13H;1-9H;1-7H,(H,12,13);1-7,13H;1-2,4,6H,3,5,7H2;1-4H,5-7H2;4*1-6H;1-4H;4-5H,1-3H2;3H,1-2H2,(H,4,5);1-2H;21*1H4
InChIKeyICDGHMXARWUUOO-UHFFFAOYSA-N
MW3489.59 g/mol
LogP56.34
Rot. Bonds

About 4aH-carbazole;benzo[g]quinoline;9H-carbazole;cinnoline;3,4-dihydro-2H-chromene;4,5-dihydro-1H-imidazole;3,4-dihydro-1H-isochromene;7,8-dihydro-1,7-phenanthroline;5,10-dihydrophenarsazinine;5,10-dihydrophenazine;imidazolidine;methane;1,8-naphthyridine;1,2,5-oxadiazole;1H-perimidine;phenanthridine;10H-phenothiazine;10H-phenoxazine;pyrazino[2,3-b]pyrazine;9H-pyrido[3,4-b]indole;quinazoline;quinoxaline

4aH-carbazole;benzo[g]quinoline;9H-carbazole;cinnoline;3,4-dihydro-2H-chromene;4,5-dihydro-1H-imidazole;3,4-dihydro-1H-isochromene;7,8-dihydro-1,7-phenanthroline;5,10-dihydrophenarsazinine;5,10-dihydrophenazine;imidazolidine;methane;1,8-naphthyridine;1,2,5-oxadiazole;1H-perimidine;phenanthridine;10H-phenothiazine;10H-phenoxazine;pyrazino[2,3-b]pyrazine;9H-pyrido[3,4-b]indole;quinazoline;quinoxaline (PubChem CID 158655939) has the molecular formula C217H248AsN33O4S and a molecular weight of 3489.59 g/mol. Its IUPAC name is 4aH-carbazole;benzo[g]quinoline;9H-carbazole;cinnoline;3,4-dihydro-2H-chromene;4,5-dihydro-1H-imidazole;3,4-dihydro-1H-isochromene;7,8-dihydro-1,7-phenanthroline;5,10-dihydrophenarsazinine;5,10-dihydrophenazine;imidazolidine;methane;1,8-naphthyridine;1,2,5-oxadiazole;1H-perimidine;phenanthridine;10H-phenothiazine;10H-phenoxazine;pyrazino[2,3-b]pyrazine;9H-pyrido[3,4-b]indole;quinazoline;quinoxaline.

Molecular Properties

Compound Name4aH-carbazole;benzo[g]quinoline;9H-carbazole;cinnoline;3,4-dihydro-2H-chromene;4,5-dihydro-1H-imidazole;3,4-dihydro-1H-isochromene;7,8-dihydro-1,7-phenanthroline;5,10-dihydrophenarsazinine;5,10-dihydrophenazine;imidazolidine;methane;1,8-naphthyridine;1,2,5-oxadiazole;1H-perimidine;phenanthridine;10H-phenothiazine;10H-phenoxazine;pyrazino[2,3-b]pyrazine;9H-pyrido[3,4-b]indole;quinazoline;quinoxaline
PubChem CID158655939
Molecular FormulaC217H248AsN33O4S
Molecular Weight3489.59 g/mol
Exact Mass3486.92
IUPAC Name4aH-carbazole;benzo[g]quinoline;9H-carbazole;cinnoline;3,4-dihydro-2H-chromene;4,5-dihydro-1H-imidazole;3,4-dihydro-1H-isochromene;7,8-dihydro-1,7-phenanthroline;5,10-dihydrophenarsazinine;5,10-dihydrophenazine;imidazolidine;methane;1,8-naphthyridine;1,2,5-oxadiazole;1H-perimidine;phenanthridine;10H-phenothiazine;10H-phenoxazine;pyrazino[2,3-b]pyrazine;9H-pyrido[3,4-b]indole;quinazoline;quinoxaline
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1=CC2=Nc3ccccc3C2C=C1.C1=Cc2c(ccc3cccnc23)NC1.C1=NCCN1.C1=Nc2cccc3cccc(c23)N1.C1CNCN1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)Nc1ccccc1N2.c1ccc2c(c1)Nc1ccccc1O2.c1ccc2c(c1)Nc1ccccc1S2.c1ccc2c(c1)Nc1ccccc1[AsH]2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1cnccc12.c1ccc2c(c1)cnc1ccccc12.c1ccc2cc3ncccc3cc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1cnc2ncccc2c1.c1cnc2nccnc2n1.c1cnon1
InChIInChI=1S/2C13H9N.C12H10AsN.2C12H10N2.C12H9NO.C12H9NS.2C12H9N.2C11H8N2.2C9H10O.4C8H6N2.C6H4N4.C3H8N2.C3H6N2.C2H2N2O.21CH4/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;2*1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-8-4-2-6-10-11(8)9(5-1)12-7-13-10;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-2-8-6-5(7-1)9-3-4-10-6;2*1-2-5-3-4-1;1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;/h2*1-9H;1-8,13-14H;1-6,8,13H,7H2;1-8,13-14H;2*1-8,13H;1-8,13H;1-9H;1-7H,(H,12,13);1-7,13H;1-2,4,6H,3,5,7H2;1-4H,5-7H2;4*1-6H;1-4H;4-5H,1-3H2;3H,1-2H2,(H,4,5);1-2H;21*1H4
InChIKeyICDGHMXARWUUOO-UHFFFAOYSA-N
XLogP56.34
TPSA461.81 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003489.59
LogP ≤ 556.34
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}, {'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4aH-carbazole;benzo[g]quinoline;9H-carbazole;cinnoline;3,4-dihydro-2H-chromene;4,5-dihydro-1H-imidazole;3,4-dihydro-1H-isochromene;7,8-dihydro-1,7-phenanthroline;5,10-dihydrophenarsazinine;5,10-dihydrophenazine;imidazolidine;methane;1,8-naphthyridine;1,2,5-oxadiazole;1H-perimidine;phenanthridine;10H-phenothiazine;10H-phenoxazine;pyrazino[2,3-b]pyrazine;9H-pyrido[3,4-b]indole;quinazoline;quinoxaline with MolForge

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Related Compounds

1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)-5-naphthalen-1-yl-4-(1,5-naphthyridin-2-yl)-3-phenazin-1-yl-2-(10H-phenothiazin-1-yl)-6-phthalazin-1-yl-5-pteridin-2-yl-3-quinazolin-2-ylcyclohexen-1-yl]-10H-phenoxazine
CID 141422689
CID 157443510
CID 157443510
4aH-carbazole;acridine;9H-carbazole;cinnoline;3,4-dihydro-2H-chromene;4,5-dihydro-1H-imidazole;3,4-dihydro-1H-isochromene;7,8-dihydro-1,7-phenanthroline;5,10-dihydrophenarsazinine;5,10-dihydrophenazine;imidazolidine;methane;1,8-naphthyridine;1,2,5-oxadiazole;1H-perimidine;phenanthridine;10H-phenothiazine;10H-phenoxazine;pyrazino[2,3-b]pyrazine;9H-pyrido[3,4-b]indole;quinazoline;quinoxaline
CID 157894538
CID 158705455
CID 158705455
CID 159201668
CID 159201668
CID 160011701
CID 160011701
CID 160419456
CID 160419456
10-tert-butyl-4a,10a-dihydrophenothiazine;10-tert-butyl-4a,10a-dihydrophenoxazine;1-tert-butyl-2H-benzimidazol-1-ium;9-tert-butyl-10,10-dimethyl-9,9a-dihydro-4aH-anthracene;9-tert-butyl-9H-fluorene;1-tert-butyl-2H-indazol-1-ium;bis(2-tert-butyl-1H-indene);bis(2-tert-butyl-3H-indole);1-tert-butyl-2H-indol-1-ium;5-tert-butyl-10-methyl-4a,10a-dihydrophenazine;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylindole;5-tert-butyl-10-(2-methylpropyl)-4a,10a-dihydrophenazine;9-(4-tert-butylphenyl)carbazole
CID 160510016
CID 160514787
CID 160514787
CID 160612490
CID 160612490
2,3-Dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;11-methylbenzo[b][1]benzazepine;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;5-methylpyrido[3,2-b]indole
CID 160657496
CID 160867841
CID 160867841

Frequently Asked Questions

What is the IUPAC name of 4aH-carbazole;benzo[g]quinoline;9H-carbazole;cinnoline;3,4-dihydro-2H-chromene;4,5-dihydro-1H-imidazole;3,4-dihydro-1H-isochromene;7,8-dihydro-1,7-phenanthroline;5,10-dihydrophenarsazinine;5,10-dihydrophenazine;imidazolidine;methane;1,8-naphthyridine;1,2,5-oxadiazole;1H-perimidine;phenanthridine;10H-phenothiazine;10H-phenoxazine;pyrazino[2,3-b]pyrazine;9H-pyrido[3,4-b]indole;quinazoline;quinoxaline?
The IUPAC name of 4aH-carbazole;benzo[g]quinoline;9H-carbazole;cinnoline;3,4-dihydro-2H-chromene;4,5-dihydro-1H-imidazole;3,4-dihydro-1H-isochromene;7,8-dihydro-1,7-phenanthroline;5,10-dihydrophenarsazinine;5,10-dihydrophenazine;imidazolidine;methane;1,8-naphthyridine;1,2,5-oxadiazole;1H-perimidine;phenanthridine;10H-phenothiazine;10H-phenoxazine;pyrazino[2,3-b]pyrazine;9H-pyrido[3,4-b]indole;quinazoline;quinoxaline (CID 158655939) is 4aH-carbazole;benzo[g]quinoline;9H-carbazole;cinnoline;3,4-dihydro-2H-chromene;4,5-dihydro-1H-imidazole;3,4-dihydro-1H-isochromene;7,8-dihydro-1,7-phenanthroline;5,10-dihydrophenarsazinine;5,10-dihydrophenazine;imidazolidine;methane;1,8-naphthyridine;1,2,5-oxadiazole;1H-perimidine;phenanthridine;10H-phenothiazine;10H-phenoxazine;pyrazino[2,3-b]pyrazine;9H-pyrido[3,4-b]indole;quinazoline;quinoxaline.
What is the SMILES notation for 4aH-carbazole;benzo[g]quinoline;9H-carbazole;cinnoline;3,4-dihydro-2H-chromene;4,5-dihydro-1H-imidazole;3,4-dihydro-1H-isochromene;7,8-dihydro-1,7-phenanthroline;5,10-dihydrophenarsazinine;5,10-dihydrophenazine;imidazolidine;methane;1,8-naphthyridine;1,2,5-oxadiazole;1H-perimidine;phenanthridine;10H-phenothiazine;10H-phenoxazine;pyrazino[2,3-b]pyrazine;9H-pyrido[3,4-b]indole;quinazoline;quinoxaline?
The canonical SMILES for 4aH-carbazole;benzo[g]quinoline;9H-carbazole;cinnoline;3,4-dihydro-2H-chromene;4,5-dihydro-1H-imidazole;3,4-dihydro-1H-isochromene;7,8-dihydro-1,7-phenanthroline;5,10-dihydrophenarsazinine;5,10-dihydrophenazine;imidazolidine;methane;1,8-naphthyridine;1,2,5-oxadiazole;1H-perimidine;phenanthridine;10H-phenothiazine;10H-phenoxazine;pyrazino[2,3-b]pyrazine;9H-pyrido[3,4-b]indole;quinazoline;quinoxaline is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1=CC2=Nc3ccccc3C2C=C1.C1=Cc2c(ccc3cccnc23)NC1.C1=NCCN1.C1=Nc2cccc3cccc(c23)N1.C1CNCN1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)Nc1ccccc1N2.c1ccc2c(c1)Nc1ccccc1O2.c1ccc2c(c1)Nc1ccccc1S2.c1ccc2c(c1)Nc1ccccc1[AsH]2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1cnccc12.c1ccc2c(c1)cnc1ccccc12.c1ccc2cc3ncccc3cc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1cnc2ncccc2c1.c1cnc2nccnc2n1.c1cnon1.
What is the InChIKey of 4aH-carbazole;benzo[g]quinoline;9H-carbazole;cinnoline;3,4-dihydro-2H-chromene;4,5-dihydro-1H-imidazole;3,4-dihydro-1H-isochromene;7,8-dihydro-1,7-phenanthroline;5,10-dihydrophenarsazinine;5,10-dihydrophenazine;imidazolidine;methane;1,8-naphthyridine;1,2,5-oxadiazole;1H-perimidine;phenanthridine;10H-phenothiazine;10H-phenoxazine;pyrazino[2,3-b]pyrazine;9H-pyrido[3,4-b]indole;quinazoline;quinoxaline?
The InChIKey is ICDGHMXARWUUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9N.C12H10AsN.2C12H10N2.C12H9NO.C12H9NS.2C12H9N.2C11H8N2.2C9H10O.4C8H6N2.C6H4N4.C3H8N2.C3H6N2.C2H2N2O.21CH4/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;2*1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-8-4-2-6-10-11(8)9(5-1)12-7-13-10;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-2-8-6-5(7-1)9-3-4-10-6;2*1-2-5-3-4-1;1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;/h2*1-9H;1-8,13-14H;1-6,8,13H,7H2;1-8,13-14H;2*1-8,13H;1-8,13H;1-9H;1-7H,(H,12,13);1-7,13H;1-2,4,6H,3,5,7H2;1-4H,5-7H2;4*1-6H;1-4H;4-5H,1-3H2;3H,1-2H2,(H,4,5);1-2H;21*1H4.
What are the key properties of 4aH-carbazole;benzo[g]quinoline;9H-carbazole;cinnoline;3,4-dihydro-2H-chromene;4,5-dihydro-1H-imidazole;3,4-dihydro-1H-isochromene;7,8-dihydro-1,7-phenanthroline;5,10-dihydrophenarsazinine;5,10-dihydrophenazine;imidazolidine;methane;1,8-naphthyridine;1,2,5-oxadiazole;1H-perimidine;phenanthridine;10H-phenothiazine;10H-phenoxazine;pyrazino[2,3-b]pyrazine;9H-pyrido[3,4-b]indole;quinazoline;quinoxaline?
4aH-carbazole;benzo[g]quinoline;9H-carbazole;cinnoline;3,4-dihydro-2H-chromene;4,5-dihydro-1H-imidazole;3,4-dihydro-1H-isochromene;7,8-dihydro-1,7-phenanthroline;5,10-dihydrophenarsazinine;5,10-dihydrophenazine;imidazolidine;methane;1,8-naphthyridine;1,2,5-oxadiazole;1H-perimidine;phenanthridine;10H-phenothiazine;10H-phenoxazine;pyrazino[2,3-b]pyrazine;9H-pyrido[3,4-b]indole;quinazoline;quinoxaline has a molecular weight of 3489.59 g/mol, XLogP of 56.34, 0 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4aH-carbazole;benzo[g]quinoline;9H-carbazole;cinnoline;3,4-dihydro-2H-chromene;4,5-dihydro-1H-imidazole;3,4-dihydro-1H-isochromene;7,8-dihydro-1,7-phenanthroline;5,10-dihydrophenarsazinine;5,10-dihydrophenazine;imidazolidine;methane;1,8-naphthyridine;1,2,5-oxadiazole;1H-perimidine;phenanthridine;10H-phenothiazine;10H-phenoxazine;pyrazino[2,3-b]pyrazine;9H-pyrido[3,4-b]indole;quinazoline;quinoxaline is sourced from PubChem (CID 158655939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).