15-carbazol-9-yl-13,14,16-triazahexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene

C35H20N4 — CID 137491038

IUPAC15-carbazol-9-yl-13,14,16-triazahexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene
SMILESc1ccc2c(c1)ccc1c3nnc(-n4c5ccccc5c5ccccc54)nc3c3ccc4ccccc4c3c21
InChIInChI=1S/C35H20N4/c1-3-11-23-21(9-1)17-19-27-31(23)32-24-12-4-2-10-22(24)18-20-28(32)34-33(27)36-35(38-37-34)39-29-15-7-5-13-25(29)26-14-6-8-16-30(26)39/h1-20H
InChIKeyDKTPFUWAJFEZPW-UHFFFAOYSA-N
MW496.57 g/mol
LogP8.73
Rot. Bonds1

About 15-carbazol-9-yl-13,14,16-triazahexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene

15-carbazol-9-yl-13,14,16-triazahexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene (PubChem CID 137491038) has the molecular formula C35H20N4 and a molecular weight of 496.57 g/mol. Its IUPAC name is 15-carbazol-9-yl-13,14,16-triazahexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene.

Molecular Properties

Compound Name15-carbazol-9-yl-13,14,16-triazahexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene
PubChem CID137491038
Molecular FormulaC35H20N4
Molecular Weight496.57 g/mol
Exact Mass496.17
IUPAC Name15-carbazol-9-yl-13,14,16-triazahexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene
SMILESc1ccc2c(c1)ccc1c3nnc(-n4c5ccccc5c5ccccc54)nc3c3ccc4ccccc4c3c21
InChIInChI=1S/C35H20N4/c1-3-11-23-21(9-1)17-19-27-31(23)32-24-12-4-2-10-22(24)18-20-28(32)34-33(27)36-35(38-37-34)39-29-15-7-5-13-25(29)26-14-6-8-16-30(26)39/h1-20H
InChIKeyDKTPFUWAJFEZPW-UHFFFAOYSA-N
XLogP8.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 15-carbazol-9-yl-13,14,16-triazahexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-carbazol-9-yl-13,14,16-triazahexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene?
The IUPAC name of 15-carbazol-9-yl-13,14,16-triazahexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene (CID 137491038) is 15-carbazol-9-yl-13,14,16-triazahexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene.
What is the SMILES notation for 15-carbazol-9-yl-13,14,16-triazahexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene?
The canonical SMILES for 15-carbazol-9-yl-13,14,16-triazahexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene is c1ccc2c(c1)ccc1c3nnc(-n4c5ccccc5c5ccccc54)nc3c3ccc4ccccc4c3c21.
What is the InChIKey of 15-carbazol-9-yl-13,14,16-triazahexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene?
The InChIKey is DKTPFUWAJFEZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20N4/c1-3-11-23-21(9-1)17-19-27-31(23)32-24-12-4-2-10-22(24)18-20-28(32)34-33(27)36-35(38-37-34)39-29-15-7-5-13-25(29)26-14-6-8-16-30(26)39/h1-20H.
What are the key properties of 15-carbazol-9-yl-13,14,16-triazahexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene?
15-carbazol-9-yl-13,14,16-triazahexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene has a molecular weight of 496.57 g/mol, XLogP of 8.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-carbazol-9-yl-13,14,16-triazahexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene is sourced from PubChem (CID 137491038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).