5,6,15,16-tetramethyl-2,7,12,17-tetrazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),5,9,11,14(18),15,19-nonaene

C20H18N4 — CID 154715961

IUPAC5,6,15,16-tetramethyl-2,7,12,17-tetrazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),5,9,11,14(18),15,19-nonaene
SMILESCc1[nH]c2ccc3nc4c(ccc5[nH]c(C)c(C)c54)nc3c2c1C
InChIInChI=1S/C20H18N4/c1-9-11(3)21-13-5-7-15-19(17(9)13)23-16-8-6-14-18(20(16)24-15)10(2)12(4)22-14/h5-8,21-22H,1-4H3
InChIKeyWZLURZYFJKPFTA-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.98
Rot. Bonds

About 5,6,15,16-tetramethyl-2,7,12,17-tetrazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),5,9,11,14(18),15,19-nonaene

5,6,15,16-tetramethyl-2,7,12,17-tetrazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),5,9,11,14(18),15,19-nonaene (PubChem CID 154715961) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5,6,15,16-tetramethyl-2,7,12,17-tetrazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),5,9,11,14(18),15,19-nonaene.

Molecular Properties

Compound Name5,6,15,16-tetramethyl-2,7,12,17-tetrazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),5,9,11,14(18),15,19-nonaene
PubChem CID154715961
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name5,6,15,16-tetramethyl-2,7,12,17-tetrazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),5,9,11,14(18),15,19-nonaene
SMILESCc1[nH]c2ccc3nc4c(ccc5[nH]c(C)c(C)c54)nc3c2c1C
InChIInChI=1S/C20H18N4/c1-9-11(3)21-13-5-7-15-19(17(9)13)23-16-8-6-14-18(20(16)24-15)10(2)12(4)22-14/h5-8,21-22H,1-4H3
InChIKeyWZLURZYFJKPFTA-UHFFFAOYSA-N
XLogP4.98
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,6,15,16-tetramethyl-2,7,12,17-tetrazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),5,9,11,14(18),15,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,6,15,16-tetramethyl-2,7,12,17-tetrazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),5,9,11,14(18),15,19-nonaene?
The IUPAC name of 5,6,15,16-tetramethyl-2,7,12,17-tetrazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),5,9,11,14(18),15,19-nonaene (CID 154715961) is 5,6,15,16-tetramethyl-2,7,12,17-tetrazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),5,9,11,14(18),15,19-nonaene.
What is the SMILES notation for 5,6,15,16-tetramethyl-2,7,12,17-tetrazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),5,9,11,14(18),15,19-nonaene?
The canonical SMILES for 5,6,15,16-tetramethyl-2,7,12,17-tetrazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),5,9,11,14(18),15,19-nonaene is Cc1[nH]c2ccc3nc4c(ccc5[nH]c(C)c(C)c54)nc3c2c1C.
What is the InChIKey of 5,6,15,16-tetramethyl-2,7,12,17-tetrazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),5,9,11,14(18),15,19-nonaene?
The InChIKey is WZLURZYFJKPFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-9-11(3)21-13-5-7-15-19(17(9)13)23-16-8-6-14-18(20(16)24-15)10(2)12(4)22-14/h5-8,21-22H,1-4H3.
What are the key properties of 5,6,15,16-tetramethyl-2,7,12,17-tetrazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),5,9,11,14(18),15,19-nonaene?
5,6,15,16-tetramethyl-2,7,12,17-tetrazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),5,9,11,14(18),15,19-nonaene has a molecular weight of 314.39 g/mol, XLogP of 4.98, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,15,16-tetramethyl-2,7,12,17-tetrazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),5,9,11,14(18),15,19-nonaene is sourced from PubChem (CID 154715961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).