12-(9H-carbazol-3-yl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene

C22H14N4 — CID 144661360

IUPAC12-(9H-carbazol-3-yl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
SMILESc1ccc2c(c1)[nH]c1ccc(-c3cc4c(cn3)[nH]c3ccncc34)cc12
InChIInChI=1S/C22H14N4/c1-2-4-18-14(3-1)15-9-13(5-6-19(15)25-18)21-10-16-17-11-23-8-7-20(17)26-22(16)12-24-21/h1-12,25-26H
InChIKeyINIHWLNWZXHUTJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP5.41
Rot. Bonds1

About 12-(9H-carbazol-3-yl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene

12-(9H-carbazol-3-yl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene (PubChem CID 144661360) has the molecular formula C22H14N4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 12-(9H-carbazol-3-yl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene.

Molecular Properties

Compound Name12-(9H-carbazol-3-yl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
PubChem CID144661360
Molecular FormulaC22H14N4
Molecular Weight334.38 g/mol
Exact Mass334.12
IUPAC Name12-(9H-carbazol-3-yl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
SMILESc1ccc2c(c1)[nH]c1ccc(-c3cc4c(cn3)[nH]c3ccncc34)cc12
InChIInChI=1S/C22H14N4/c1-2-4-18-14(3-1)15-9-13(5-6-19(15)25-18)21-10-16-17-11-23-8-7-20(17)26-22(16)12-24-21/h1-12,25-26H
InChIKeyINIHWLNWZXHUTJ-UHFFFAOYSA-N
XLogP5.41
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.38
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 12-(9H-carbazol-3-yl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 12-(9H-carbazol-3-yl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?
The IUPAC name of 12-(9H-carbazol-3-yl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene (CID 144661360) is 12-(9H-carbazol-3-yl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene.
What is the SMILES notation for 12-(9H-carbazol-3-yl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?
The canonical SMILES for 12-(9H-carbazol-3-yl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene is c1ccc2c(c1)[nH]c1ccc(-c3cc4c(cn3)[nH]c3ccncc34)cc12.
What is the InChIKey of 12-(9H-carbazol-3-yl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?
The InChIKey is INIHWLNWZXHUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4/c1-2-4-18-14(3-1)15-9-13(5-6-19(15)25-18)21-10-16-17-11-23-8-7-20(17)26-22(16)12-24-21/h1-12,25-26H.
What are the key properties of 12-(9H-carbazol-3-yl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?
12-(9H-carbazol-3-yl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene has a molecular weight of 334.38 g/mol, XLogP of 5.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(9H-carbazol-3-yl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene is sourced from PubChem (CID 144661360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).