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;2-(1H-indol-3-yl)acetic acid;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenyl-2,3-dihydroindole

C115H109N9O4 — CID 160700188

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;2-(1H-indol-3-yl)acetic acid;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenyl-2,3-dihydroindole
SMILESC=Cn1c2ccccc2c2ccccc21.CN1c2ccccc2CC1c1ccccc1.Cn1c2ccccc2c2ccc(O)cc21.Cn1c2ccccc2c2ccccc21.O=C(O)Cc1c[nH]c2ccccc12.Oc1ccc2c3c1CCCN3CCC2.c1cc2c3c(c1)CCCN3CCC2.c1ccc2c(c1)CCc1ccccc1N2.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C15H15N.C14H13N.C14H11N.C13H11NO.C13H11N.C12H15NO.C12H15N.C12H9N.C10H9NO2/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/h2-10,15H,11H2,1H3;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)
InChIKeyRQNBMJUMYIQMFW-UHFFFAOYSA-N
MW1681.20 g/mol
LogP26.81
Rot. Bonds4

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;2-(1H-indol-3-yl)acetic acid;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenyl-2,3-dihydroindole

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;2-(1H-indol-3-yl)acetic acid;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenyl-2,3-dihydroindole (PubChem CID 160700188) has the molecular formula C115H109N9O4 and a molecular weight of 1681.20 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;2-(1H-indol-3-yl)acetic acid;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenyl-2,3-dihydroindole.

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;2-(1H-indol-3-yl)acetic acid;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenyl-2,3-dihydroindole
PubChem CID160700188
Molecular FormulaC115H109N9O4
Molecular Weight1681.20 g/mol
Exact Mass1679.86
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;2-(1H-indol-3-yl)acetic acid;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenyl-2,3-dihydroindole
SMILESC=Cn1c2ccccc2c2ccccc21.CN1c2ccccc2CC1c1ccccc1.Cn1c2ccccc2c2ccc(O)cc21.Cn1c2ccccc2c2ccccc21.O=C(O)Cc1c[nH]c2ccccc12.Oc1ccc2c3c1CCCN3CCC2.c1cc2c3c(c1)CCCN3CCC2.c1ccc2c(c1)CCc1ccccc1N2.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C15H15N.C14H13N.C14H11N.C13H11NO.C13H11N.C12H15NO.C12H15N.C12H9N.C10H9NO2/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/h2-10,15H,11H2,1H3;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)
InChIKeyRQNBMJUMYIQMFW-UHFFFAOYSA-N
XLogP26.81
TPSA145.88 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001681.20
LogP ≤ 526.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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;2-(1H-indol-3-yl)acetic acid;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenyl-2,3-dihydroindole with MolForge

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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;2-(1H-indol-3-yl)acetic acid;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenyl-2,3-dihydroindole?
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;2-(1H-indol-3-yl)acetic acid;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenyl-2,3-dihydroindole (CID 160700188) 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;2-(1H-indol-3-yl)acetic acid;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenyl-2,3-dihydroindole.
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;2-(1H-indol-3-yl)acetic acid;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenyl-2,3-dihydroindole?
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;2-(1H-indol-3-yl)acetic acid;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenyl-2,3-dihydroindole is C=Cn1c2ccccc2c2ccccc21.CN1c2ccccc2CC1c1ccccc1.Cn1c2ccccc2c2ccc(O)cc21.Cn1c2ccccc2c2ccccc21.O=C(O)Cc1c[nH]c2ccccc12.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;2-(1H-indol-3-yl)acetic acid;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenyl-2,3-dihydroindole?
The InChIKey is RQNBMJUMYIQMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N.C14H13N.C14H11N.C13H11NO.C13H11N.C12H15NO.C12H15N.C12H9N.C10H9NO2/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/h2-10,15H,11H2,1H3;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).
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;2-(1H-indol-3-yl)acetic acid;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenyl-2,3-dihydroindole?
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;2-(1H-indol-3-yl)acetic acid;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenyl-2,3-dihydroindole has a molecular weight of 1681.20 g/mol, XLogP of 26.81, 4 rotatable bonds, 6 hydrogen bond donors, and 10 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;2-(1H-indol-3-yl)acetic acid;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenyl-2,3-dihydroindole is sourced from PubChem (CID 160700188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).