8-(1H-indol-3-yl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,9,12,14-heptaene

C23H16N2 — CID 139526372

IUPAC8-(1H-indol-3-yl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,9,12,14-heptaene
SMILESc1ccc2c(c1)-c1cccc3[nH]cc(c13)C2c1c[nH]c2ccccc12
InChIInChI=1S/C23H16N2/c1-2-8-16-14(6-1)17-9-5-11-21-23(17)19(13-25-21)22(16)18-12-24-20-10-4-3-7-15(18)20/h1-13,22,24-25H
InChIKeyWEFFXJZBXADVGW-UHFFFAOYSA-N
MW320.40 g/mol
LogP5.81
Rot. Bonds1

About 8-(1H-indol-3-yl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,9,12,14-heptaene

8-(1H-indol-3-yl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,9,12,14-heptaene (PubChem CID 139526372) has the molecular formula C23H16N2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 8-(1H-indol-3-yl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,9,12,14-heptaene.

Molecular Properties

Compound Name8-(1H-indol-3-yl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,9,12,14-heptaene
PubChem CID139526372
Molecular FormulaC23H16N2
Molecular Weight320.40 g/mol
Exact Mass320.13
IUPAC Name8-(1H-indol-3-yl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,9,12,14-heptaene
SMILESc1ccc2c(c1)-c1cccc3[nH]cc(c13)C2c1c[nH]c2ccccc12
InChIInChI=1S/C23H16N2/c1-2-8-16-14(6-1)17-9-5-11-21-23(17)19(13-25-21)22(16)18-12-24-20-10-4-3-7-15(18)20/h1-13,22,24-25H
InChIKeyWEFFXJZBXADVGW-UHFFFAOYSA-N
XLogP5.81
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.40
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-(1H-indol-3-yl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,9,12,14-heptaene?
The IUPAC name of 8-(1H-indol-3-yl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,9,12,14-heptaene (CID 139526372) is 8-(1H-indol-3-yl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,9,12,14-heptaene.
What is the SMILES notation for 8-(1H-indol-3-yl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,9,12,14-heptaene?
The canonical SMILES for 8-(1H-indol-3-yl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,9,12,14-heptaene is c1ccc2c(c1)-c1cccc3[nH]cc(c13)C2c1c[nH]c2ccccc12.
What is the InChIKey of 8-(1H-indol-3-yl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,9,12,14-heptaene?
The InChIKey is WEFFXJZBXADVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2/c1-2-8-16-14(6-1)17-9-5-11-21-23(17)19(13-25-21)22(16)18-12-24-20-10-4-3-7-15(18)20/h1-13,22,24-25H.
What are the key properties of 8-(1H-indol-3-yl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,9,12,14-heptaene?
8-(1H-indol-3-yl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,9,12,14-heptaene has a molecular weight of 320.40 g/mol, XLogP of 5.81, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-indol-3-yl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,9,12,14-heptaene is sourced from PubChem (CID 139526372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).