4,9-diphenyl-2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-3,5,7,9-tetraene

C26H24N2 — CID 72726005

IUPAC4,9-diphenyl-2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-3,5,7,9-tetraene
SMILESc1ccc(-c2cc3n(c2)C2CCCCC2n2cc(-c4ccccc4)cc2-3)cc1
InChIInChI=1S/C26H24N2/c1-3-9-19(10-4-1)21-15-25-26-16-22(20-11-5-2-6-12-20)18-28(26)24-14-8-7-13-23(24)27(25)17-21/h1-6,9-12,15-18,23-24H,7-8,13-14H2
InChIKeyOQTCQHAWBVTQQT-UHFFFAOYSA-N
MW364.49 g/mol
LogP6.96
Rot. Bonds2

About 4,9-diphenyl-2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-3,5,7,9-tetraene

4,9-diphenyl-2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-3,5,7,9-tetraene (PubChem CID 72726005) has the molecular formula C26H24N2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4,9-diphenyl-2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-3,5,7,9-tetraene.

Molecular Properties

Compound Name4,9-diphenyl-2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-3,5,7,9-tetraene
PubChem CID72726005
Molecular FormulaC26H24N2
Molecular Weight364.49 g/mol
Exact Mass364.19
IUPAC Name4,9-diphenyl-2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-3,5,7,9-tetraene
SMILESc1ccc(-c2cc3n(c2)C2CCCCC2n2cc(-c4ccccc4)cc2-3)cc1
InChIInChI=1S/C26H24N2/c1-3-9-19(10-4-1)21-15-25-26-16-22(20-11-5-2-6-12-20)18-28(26)24-14-8-7-13-23(24)27(25)17-21/h1-6,9-12,15-18,23-24H,7-8,13-14H2
InChIKeyOQTCQHAWBVTQQT-UHFFFAOYSA-N
XLogP6.96
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,9-diphenyl-2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-3,5,7,9-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,9-diphenyl-2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-3,5,7,9-tetraene?
The IUPAC name of 4,9-diphenyl-2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-3,5,7,9-tetraene (CID 72726005) is 4,9-diphenyl-2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-3,5,7,9-tetraene.
What is the SMILES notation for 4,9-diphenyl-2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-3,5,7,9-tetraene?
The canonical SMILES for 4,9-diphenyl-2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-3,5,7,9-tetraene is c1ccc(-c2cc3n(c2)C2CCCCC2n2cc(-c4ccccc4)cc2-3)cc1.
What is the InChIKey of 4,9-diphenyl-2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-3,5,7,9-tetraene?
The InChIKey is OQTCQHAWBVTQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2/c1-3-9-19(10-4-1)21-15-25-26-16-22(20-11-5-2-6-12-20)18-28(26)24-14-8-7-13-23(24)27(25)17-21/h1-6,9-12,15-18,23-24H,7-8,13-14H2.
What are the key properties of 4,9-diphenyl-2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-3,5,7,9-tetraene?
4,9-diphenyl-2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-3,5,7,9-tetraene has a molecular weight of 364.49 g/mol, XLogP of 6.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-diphenyl-2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-3,5,7,9-tetraene is sourced from PubChem (CID 72726005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).