5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene

C22H14N6 — CID 71482704

IUPAC5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene
SMILESc1ccc(-c2nnc3c4ccccc4c4nnc(-c5ccccc5)n4n23)cc1
InChIInChI=1S/C22H14N6/c1-3-9-15(10-4-1)19-23-25-21-17-13-7-8-14-18(17)22-26-24-20(28(22)27(19)21)16-11-5-2-6-12-16/h1-14H
InChIKeyHRBBFTXQFJBFLM-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.26
Rot. Bonds2

About 5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene

5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene (PubChem CID 71482704) has the molecular formula C22H14N6 and a molecular weight of 362.40 g/mol. Its IUPAC name is 5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene.

Molecular Properties

Compound Name5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene
PubChem CID71482704
Molecular FormulaC22H14N6
Molecular Weight362.40 g/mol
Exact Mass362.13
IUPAC Name5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene
SMILESc1ccc(-c2nnc3c4ccccc4c4nnc(-c5ccccc5)n4n23)cc1
InChIInChI=1S/C22H14N6/c1-3-9-15(10-4-1)19-23-25-21-17-13-7-8-14-18(17)22-26-24-20(28(22)27(19)21)16-11-5-2-6-12-16/h1-14H
InChIKeyHRBBFTXQFJBFLM-UHFFFAOYSA-N
XLogP4.26
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene with MolForge

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Related Compounds

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5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 614138
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CID 21283349
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Frequently Asked Questions

What is the IUPAC name of 5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene?
The IUPAC name of 5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene (CID 71482704) is 5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene.
What is the SMILES notation for 5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene?
The canonical SMILES for 5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene is c1ccc(-c2nnc3c4ccccc4c4nnc(-c5ccccc5)n4n23)cc1.
What is the InChIKey of 5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene?
The InChIKey is HRBBFTXQFJBFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N6/c1-3-9-15(10-4-1)19-23-25-21-17-13-7-8-14-18(17)22-26-24-20(28(22)27(19)21)16-11-5-2-6-12-16/h1-14H.
What are the key properties of 5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene?
5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene has a molecular weight of 362.40 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene is sourced from PubChem (CID 71482704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).