2,8,17-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),3,5,7(12),8,10,14,16,18,20-decaene

C18H11N3 — CID 140949278

IUPAC2,8,17-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),3,5,7(12),8,10,14,16,18,20-decaene
SMILESc1cnc2c(c1)c1cc3cnccc3cc1n1cccc21
InChIInChI=1S/C18H11N3/c1-3-14-15-9-13-11-19-7-5-12(13)10-17(15)21-8-2-4-16(21)18(14)20-6-1/h1-11H
InChIKeyNFWRBYXHQNFCIV-UHFFFAOYSA-N
MW269.31 g/mol
LogP4.19
Rot. Bonds

About 2,8,17-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),3,5,7(12),8,10,14,16,18,20-decaene

2,8,17-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),3,5,7(12),8,10,14,16,18,20-decaene (PubChem CID 140949278) has the molecular formula C18H11N3 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2,8,17-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),3,5,7(12),8,10,14,16,18,20-decaene.

Molecular Properties

Compound Name2,8,17-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),3,5,7(12),8,10,14,16,18,20-decaene
PubChem CID140949278
Molecular FormulaC18H11N3
Molecular Weight269.31 g/mol
Exact Mass269.10
IUPAC Name2,8,17-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),3,5,7(12),8,10,14,16,18,20-decaene
SMILESc1cnc2c(c1)c1cc3cnccc3cc1n1cccc21
InChIInChI=1S/C18H11N3/c1-3-14-15-9-13-11-19-7-5-12(13)10-17(15)21-8-2-4-16(21)18(14)20-6-1/h1-11H
InChIKeyNFWRBYXHQNFCIV-UHFFFAOYSA-N
XLogP4.19
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,8,17-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),3,5,7(12),8,10,14,16,18,20-decaene with MolForge

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Related Compounds

2,12-diazaheptacyclo[15.12.0.02,10.03,8.011,16.019,28.021,26]nonacosa-1(29),3,5,7,9,11(16),12,14,17,19,21,23,25,27-tetradecaene
CID 140949348
10-methoxy-2,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140949513
10,15-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene
CID 140956014
17-thia-5,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 160830571
naphtho[2,3-f][1,10]phenanthroline
CID 15381524
4-methyl-2,3,8,15-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140950203
4-methyl-2,3,8,16-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140948940
19,23,25-triazahexacyclo[12.11.0.02,11.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15(20),16,18,21,23-dodecaene
CID 140949547
2,12,20-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(17),3,5,7,9,11(16),12,14,18,20,22,24-dodecaene
CID 140949720
ethane;6H-pyrido[4,3-b]carbazole
CID 142896724
9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,8,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140949626
17,19,21-triazahexacyclo[12.11.0.03,12.05,10.015,19.020,25]pentacosa-1,3,5,7,9,11,13,15,17,20(25),21,23-dodecaene
CID 140950443

Frequently Asked Questions

What is the IUPAC name of 2,8,17-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),3,5,7(12),8,10,14,16,18,20-decaene?
The IUPAC name of 2,8,17-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),3,5,7(12),8,10,14,16,18,20-decaene (CID 140949278) is 2,8,17-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),3,5,7(12),8,10,14,16,18,20-decaene.
What is the SMILES notation for 2,8,17-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),3,5,7(12),8,10,14,16,18,20-decaene?
The canonical SMILES for 2,8,17-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),3,5,7(12),8,10,14,16,18,20-decaene is c1cnc2c(c1)c1cc3cnccc3cc1n1cccc21.
What is the InChIKey of 2,8,17-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),3,5,7(12),8,10,14,16,18,20-decaene?
The InChIKey is NFWRBYXHQNFCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3/c1-3-14-15-9-13-11-19-7-5-12(13)10-17(15)21-8-2-4-16(21)18(14)20-6-1/h1-11H.
What are the key properties of 2,8,17-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),3,5,7(12),8,10,14,16,18,20-decaene?
2,8,17-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),3,5,7(12),8,10,14,16,18,20-decaene has a molecular weight of 269.31 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,17-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),3,5,7(12),8,10,14,16,18,20-decaene is sourced from PubChem (CID 140949278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).