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

C26H18N2 — CID 164666039

IUPAC4,9-diphenyl-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene
SMILESc1ccc(-c2cc3c4cc(-c5ccccc5)[nH]c4c4ccccc4c3[nH]2)cc1
InChIInChI=1S/C26H18N2/c1-3-9-17(10-4-1)23-15-21-22-16-24(18-11-5-2-6-12-18)28-26(22)20-14-8-7-13-19(20)25(21)27-23/h1-16,27-28H
InChIKeyLLHXHIWTDQMZTP-UHFFFAOYSA-N
MW358.44 g/mol
LogP7.14
Rot. Bonds2

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

4,9-diphenyl-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene (PubChem CID 164666039) has the molecular formula C26H18N2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4,9-diphenyl-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene.

Molecular Properties

Compound Name4,9-diphenyl-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene
PubChem CID164666039
Molecular FormulaC26H18N2
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC Name4,9-diphenyl-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene
SMILESc1ccc(-c2cc3c4cc(-c5ccccc5)[nH]c4c4ccccc4c3[nH]2)cc1
InChIInChI=1S/C26H18N2/c1-3-9-17(10-4-1)23-15-21-22-16-24(18-11-5-2-6-12-18)28-26(22)20-14-8-7-13-19(20)25(21)27-23/h1-16,27-28H
InChIKeyLLHXHIWTDQMZTP-UHFFFAOYSA-N
XLogP7.14
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 176551555

Frequently Asked Questions

What is the IUPAC name of 4,9-diphenyl-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene?
The IUPAC name of 4,9-diphenyl-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene (CID 164666039) is 4,9-diphenyl-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene.
What is the SMILES notation for 4,9-diphenyl-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene?
The canonical SMILES for 4,9-diphenyl-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene is c1ccc(-c2cc3c4cc(-c5ccccc5)[nH]c4c4ccccc4c3[nH]2)cc1.
What is the InChIKey of 4,9-diphenyl-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene?
The InChIKey is LLHXHIWTDQMZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2/c1-3-9-17(10-4-1)23-15-21-22-16-24(18-11-5-2-6-12-18)28-26(22)20-14-8-7-13-19(20)25(21)27-23/h1-16,27-28H.
What are the key properties of 4,9-diphenyl-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene?
4,9-diphenyl-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene has a molecular weight of 358.44 g/mol, XLogP of 7.14, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-diphenyl-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene is sourced from PubChem (CID 164666039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).