3-carbazol-9-yl-2,5,11,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene

C25H15N5 — CID 158990237

IUPAC3-carbazol-9-yl-2,5,11,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1cnc2c3cccnc3c3cccnc3n12
InChIInChI=1S/C25H15N5/c1-3-11-20-16(7-1)17-8-2-4-12-21(17)29(20)22-15-28-25-19-9-5-13-26-23(19)18-10-6-14-27-24(18)30(22)25/h1-15H
InChIKeyLREMZAISVMSJQP-UHFFFAOYSA-N
MW385.43 g/mol
LogP5.53
Rot. Bonds1

About 3-carbazol-9-yl-2,5,11,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene

3-carbazol-9-yl-2,5,11,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene (PubChem CID 158990237) has the molecular formula C25H15N5 and a molecular weight of 385.43 g/mol. Its IUPAC name is 3-carbazol-9-yl-2,5,11,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene.

Molecular Properties

Compound Name3-carbazol-9-yl-2,5,11,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
PubChem CID158990237
Molecular FormulaC25H15N5
Molecular Weight385.43 g/mol
Exact Mass385.13
IUPAC Name3-carbazol-9-yl-2,5,11,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1cnc2c3cccnc3c3cccnc3n12
InChIInChI=1S/C25H15N5/c1-3-11-20-16(7-1)17-8-2-4-12-21(17)29(20)22-15-28-25-19-9-5-13-26-23(19)18-10-6-14-27-24(18)30(22)25/h1-15H
InChIKeyLREMZAISVMSJQP-UHFFFAOYSA-N
XLogP5.53
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.43
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-carbazol-9-yl-2,5,11,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene with MolForge

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Related Compounds

4-bromo-3-carbazol-9-yl-2,5,11,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 158990238
3-bromo-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene
CID 140950757
3-carbazol-9-yl-4-(2,4,6-trimethylphenyl)-2,5,11,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 176776052
3,4-di(carbazol-9-yl)-2,5,11,16-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 176776078
9,18-diphenyl-9,18,21,23,29,35-hexazanonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.022,27.028,33]pentatriaconta-1,3,5,7,10,12,14,16,19,22(27),23,25,28(33),29,31,34-hexadecaene
CID 159905564
9-phenylpyrido[2,3-b]indole
CID 15939260
3-bromo-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene
CID 140950358
2-[3-(9-phenylcarbazol-3-yl)-2,5,11,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-4-yl]propan-2-ol
CID 162152915
15-carbazol-9-yl-4-methyl-3,8-dithia-1,13-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7(11),9,12,14-hexaene
CID 59359438
23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 140956310
9-methylpyrido[2,3-b]indole
CID 12596580
9-(2-bromophenyl)pyrido[2,3-b]indole
CID 170774308

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-2,5,11,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?
The IUPAC name of 3-carbazol-9-yl-2,5,11,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene (CID 158990237) is 3-carbazol-9-yl-2,5,11,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene.
What is the SMILES notation for 3-carbazol-9-yl-2,5,11,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?
The canonical SMILES for 3-carbazol-9-yl-2,5,11,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene is c1ccc2c(c1)c1ccccc1n2-c1cnc2c3cccnc3c3cccnc3n12.
What is the InChIKey of 3-carbazol-9-yl-2,5,11,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?
The InChIKey is LREMZAISVMSJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N5/c1-3-11-20-16(7-1)17-8-2-4-12-21(17)29(20)22-15-28-25-19-9-5-13-26-23(19)18-10-6-14-27-24(18)30(22)25/h1-15H.
What are the key properties of 3-carbazol-9-yl-2,5,11,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?
3-carbazol-9-yl-2,5,11,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene has a molecular weight of 385.43 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-2,5,11,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene is sourced from PubChem (CID 158990237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).