1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;9H-carbazole;6,11-dihydro-5H-benzo[b][1]benzazepine;9-ethenylcarbazole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenylindole

C133H125N11O6 — CID 159770098

IUPAC1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;9H-carbazole;6,11-dihydro-5H-benzo[b][1]benzazepine;9-ethenylcarbazole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenylindole
SMILESC=Cn1c2ccccc2c2ccccc21.Cn1c(-c2ccccc2)cc2ccccc21.Cn1c2ccccc2c2ccc(O)cc21.Cn1c2ccccc2c2ccccc21.O=C(O)Cc1c[nH]c2ccccc12.OCCc1c[nH]c2ccccc12.Oc1ccc2[nH]ccc2c1.Oc1ccc2c3c1CCCN3CCC2.c1cc2c3c(c1)CCCN3CCC2.c1ccc2c(c1)CCc1ccccc1N2.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C15H13N.C14H13N.C14H11N.C13H11NO.C13H11N.C12H15NO.C12H15N.C12H9N.C10H9NO2.C10H11NO.C8H7NO/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14-12-5-3-2-4-10(12)11-7-6-9(15)8-13(11)14;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13;1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;12-10(13)5-7-6-11-9-4-2-1-3-8(7)9;12-6-5-8-7-11-10-4-2-1-3-9(8)10;10-7-1-2-8-6(5-7)3-4-9-8/h2-11H,1H3;1-8,15H,9-10H2;2-10H,1H2;2-8,15H,1H3;2-9H,1H3;5-6,14H,1-4,7-8H2;1,4-5H,2-3,6-9H2;1-8,13H;1-4,6,11H,5H2,(H,12,13);1-4,7,11-12H,5-6H2;1-5,9-10H
InChIKeyNFZSWLSZZDAGDK-UHFFFAOYSA-N
MW1973.53 g/mol
LogP30.81
Rot. Bonds6

About 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;9H-carbazole;6,11-dihydro-5H-benzo[b][1]benzazepine;9-ethenylcarbazole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenylindole

1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;9H-carbazole;6,11-dihydro-5H-benzo[b][1]benzazepine;9-ethenylcarbazole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenylindole (PubChem CID 159770098) has the molecular formula C133H125N11O6 and a molecular weight of 1973.53 g/mol. Its IUPAC name is 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;9H-carbazole;6,11-dihydro-5H-benzo[b][1]benzazepine;9-ethenylcarbazole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenylindole.

Molecular Properties

Compound Name1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;9H-carbazole;6,11-dihydro-5H-benzo[b][1]benzazepine;9-ethenylcarbazole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenylindole
PubChem CID159770098
Molecular FormulaC133H125N11O6
Molecular Weight1973.53 g/mol
Exact Mass1971.98
IUPAC Name1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;9H-carbazole;6,11-dihydro-5H-benzo[b][1]benzazepine;9-ethenylcarbazole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenylindole
SMILESC=Cn1c2ccccc2c2ccccc21.Cn1c(-c2ccccc2)cc2ccccc21.Cn1c2ccccc2c2ccc(O)cc21.Cn1c2ccccc2c2ccccc21.O=C(O)Cc1c[nH]c2ccccc12.OCCc1c[nH]c2ccccc12.Oc1ccc2[nH]ccc2c1.Oc1ccc2c3c1CCCN3CCC2.c1cc2c3c(c1)CCCN3CCC2.c1ccc2c(c1)CCc1ccccc1N2.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C15H13N.C14H13N.C14H11N.C13H11NO.C13H11N.C12H15NO.C12H15N.C12H9N.C10H9NO2.C10H11NO.C8H7NO/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14-12-5-3-2-4-10(12)11-7-6-9(15)8-13(11)14;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13;1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;12-10(13)5-7-6-11-9-4-2-1-3-8(7)9;12-6-5-8-7-11-10-4-2-1-3-9(8)10;10-7-1-2-8-6(5-7)3-4-9-8/h2-11H,1H3;1-8,15H,9-10H2;2-10H,1H2;2-8,15H,1H3;2-9H,1H3;5-6,14H,1-4,7-8H2;1,4-5H,2-3,6-9H2;1-8,13H;1-4,6,11H,5H2,(H,12,13);1-4,7,11-12H,5-6H2;1-5,9-10H
InChIKeyNFZSWLSZZDAGDK-UHFFFAOYSA-N
XLogP30.81
TPSA219.61 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001973.53
LogP ≤ 530.81
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Analyze 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;9H-carbazole;6,11-dihydro-5H-benzo[b][1]benzazepine;9-ethenylcarbazole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenylindole with MolForge

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Related Compounds

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-fluoro-2-methyl-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-hydroxy-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-indol-1-ylpropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-2-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1-methylindol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(2-methyl-1H-indol-3-yl)propan-1-one
CID 157277976
(E)-10-(5,6-dihydroxy-2-phenyl-2,3-dihydroindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-1-(2-methyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;methyl 2-[1-[(E)-8-oxo-10-pyridin-3-yldec-9-enyl]indol-3-yl]acetate;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-1-ium-3-yldec-9-ene-1,8-dione;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-phenylindol-1-yl)-1-pyridin-1-ium-3-yldec-1-en-3-one;dichloride
CID 157412825
Bis(17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol);bis((17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-yl)methanol);1-(17-ethyl-7-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-1-yl)ethanone;methyl 17-ethyl-7-(hydroxymethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
CID 157511540
3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-ol;3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-6-ol;3-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindol-5-ol;3-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindol-6-ol
CID 157971895
[3-(2-aminoethyl)-1H-indol-5-yl]methanol;2-amino-3-(1H-indol-3-yl)propanoic acid;5-[6-hydroxy-5-(hydroxymethyl)-1H-indol-3-yl]pentan-2-one;5-(5-hydroxy-1H-indol-3-yl)pentan-2-one
CID 158371184
17-Ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-3,14-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;bis((17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-yl)methanol);1-(17-ethyl-7-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-1-yl)ethanone;methyl 17-ethyl-7-(hydroxymethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
CID 158443426
methanol;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(6-hydroxy-1H-indol-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(6-phenylmethoxy-1H-indol-3-yl)cyclopentane-1,3-dione
CID 158893492
2,3,3a,7a-tetrahydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)ethanol;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;(2R)-1,2,3,3-tetramethyl-2H-indole
CID 158979747
(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(6aR,9R)-N,N-diethyl-7-prop-2-enyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;3-[2-(dimethylamino)ethyl]-1-methylindol-4-ol;(1R,15S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;1-(5-methoxy-1H-indol-3-yl)propan-2-amine;7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;7-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 159162658
4,5-diethyl-2,3,4,4a,6,7,12,12b-octahydro-1H-indolo[3,2-d][1]benzazepin-9-ol;(4,5-diethyl-2,3,4,4a,6,7,12,12b-octahydro-1H-indolo[3,2-d][1]benzazepin-9-yl)methanol;1-(17-ethyl-7-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-1-yl)ethanone;17-ethyl-13-methyl-3,13-diazatetracyclo[13.3.1.02,10.04,9]nonadeca-2(10),4(9),5,7-tetraen-7-ol;(17-ethyl-13-methyl-3,13-diazatetracyclo[13.3.1.02,10.04,9]nonadeca-2(10),4(9),5,7-tetraen-7-yl)methanol;methyl 4,5-diethyl-9-(hydroxymethyl)-1,2,3,4,4a,6,7,12-octahydroindolo[3,2-d][1]benzazepine-12b-carboxylate
CID 159520425
1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;1-methyl-2,3-dihydroindole;2-methyl-2,3-dihydro-1H-indole;1-methyl-2-phenyl-2,3-dihydroindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole
CID 159540509
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-hydroxy-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[5-(hydroxymethyl)-1H-indol-3-yl]propan-1-one;3-[5-(hydroxymethyl)-1H-indol-3-yl]propanoic acid
CID 159740745

Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;9H-carbazole;6,11-dihydro-5H-benzo[b][1]benzazepine;9-ethenylcarbazole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenylindole?
The IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;9H-carbazole;6,11-dihydro-5H-benzo[b][1]benzazepine;9-ethenylcarbazole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenylindole (CID 159770098) is 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;9H-carbazole;6,11-dihydro-5H-benzo[b][1]benzazepine;9-ethenylcarbazole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenylindole.
What is the SMILES notation for 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;9H-carbazole;6,11-dihydro-5H-benzo[b][1]benzazepine;9-ethenylcarbazole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenylindole?
The canonical SMILES for 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;9H-carbazole;6,11-dihydro-5H-benzo[b][1]benzazepine;9-ethenylcarbazole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenylindole is C=Cn1c2ccccc2c2ccccc21.Cn1c(-c2ccccc2)cc2ccccc21.Cn1c2ccccc2c2ccc(O)cc21.Cn1c2ccccc2c2ccccc21.O=C(O)Cc1c[nH]c2ccccc12.OCCc1c[nH]c2ccccc12.Oc1ccc2[nH]ccc2c1.Oc1ccc2c3c1CCCN3CCC2.c1cc2c3c(c1)CCCN3CCC2.c1ccc2c(c1)CCc1ccccc1N2.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;9H-carbazole;6,11-dihydro-5H-benzo[b][1]benzazepine;9-ethenylcarbazole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenylindole?
The InChIKey is NFZSWLSZZDAGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N.C14H13N.C14H11N.C13H11NO.C13H11N.C12H15NO.C12H15N.C12H9N.C10H9NO2.C10H11NO.C8H7NO/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14-12-5-3-2-4-10(12)11-7-6-9(15)8-13(11)14;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13;1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;12-10(13)5-7-6-11-9-4-2-1-3-8(7)9;12-6-5-8-7-11-10-4-2-1-3-9(8)10;10-7-1-2-8-6(5-7)3-4-9-8/h2-11H,1H3;1-8,15H,9-10H2;2-10H,1H2;2-8,15H,1H3;2-9H,1H3;5-6,14H,1-4,7-8H2;1,4-5H,2-3,6-9H2;1-8,13H;1-4,6,11H,5H2,(H,12,13);1-4,7,11-12H,5-6H2;1-5,9-10H.
What are the key properties of 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;9H-carbazole;6,11-dihydro-5H-benzo[b][1]benzazepine;9-ethenylcarbazole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenylindole?
1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;9H-carbazole;6,11-dihydro-5H-benzo[b][1]benzazepine;9-ethenylcarbazole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenylindole has a molecular weight of 1973.53 g/mol, XLogP of 30.81, 6 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;9H-carbazole;6,11-dihydro-5H-benzo[b][1]benzazepine;9-ethenylcarbazole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenylindole is sourced from PubChem (CID 159770098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).