6,13-diphenyl-5,12-dioxa-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),6,8,10,13-heptaene

C24H14N2O2 — CID 118881886

IUPAC6,13-diphenyl-5,12-dioxa-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),6,8,10,13-heptaene
SMILESc1ccc(C2=Nc3ccc4c5c(ccc(c35)O2)N=C(c2ccccc2)O4)cc1
InChIInChI=1S/C24H14N2O2/c1-3-7-15(8-4-1)23-25-17-11-14-20-22-18(12-13-19(27-23)21(17)22)26-24(28-20)16-9-5-2-6-10-16/h1-14H
InChIKeyQMZPUBJWAONVSR-UHFFFAOYSA-N
MW362.39 g/mol
LogP5.78
Rot. Bonds2

About 6,13-diphenyl-5,12-dioxa-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),6,8,10,13-heptaene

6,13-diphenyl-5,12-dioxa-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),6,8,10,13-heptaene (PubChem CID 118881886) has the molecular formula C24H14N2O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 6,13-diphenyl-5,12-dioxa-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),6,8,10,13-heptaene.

Molecular Properties

Compound Name6,13-diphenyl-5,12-dioxa-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),6,8,10,13-heptaene
PubChem CID118881886
Molecular FormulaC24H14N2O2
Molecular Weight362.39 g/mol
Exact Mass362.11
IUPAC Name6,13-diphenyl-5,12-dioxa-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),6,8,10,13-heptaene
SMILESc1ccc(C2=Nc3ccc4c5c(ccc(c35)O2)N=C(c2ccccc2)O4)cc1
InChIInChI=1S/C24H14N2O2/c1-3-7-15(8-4-1)23-25-17-11-14-20-22-18(12-13-19(27-23)21(17)22)26-24(28-20)16-9-5-2-6-10-16/h1-14H
InChIKeyQMZPUBJWAONVSR-UHFFFAOYSA-N
XLogP5.78
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.39
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,13-diphenyl-5,12-dioxa-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),6,8,10,13-heptaene with MolForge

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Related Compounds

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13-methyl-5,12-dioxa-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),6,8,10,13-heptaen-6-amine
CID 134266746
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CID 102290950
(4E)-4-(1,3,4,6-benzotetraoxocin-8-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
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6,13-diphenyl-5,12-dithia-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),6,8,10,13-heptaene
CID 118881856

Frequently Asked Questions

What is the IUPAC name of 6,13-diphenyl-5,12-dioxa-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),6,8,10,13-heptaene?
The IUPAC name of 6,13-diphenyl-5,12-dioxa-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),6,8,10,13-heptaene (CID 118881886) is 6,13-diphenyl-5,12-dioxa-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),6,8,10,13-heptaene.
What is the SMILES notation for 6,13-diphenyl-5,12-dioxa-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),6,8,10,13-heptaene?
The canonical SMILES for 6,13-diphenyl-5,12-dioxa-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),6,8,10,13-heptaene is c1ccc(C2=Nc3ccc4c5c(ccc(c35)O2)N=C(c2ccccc2)O4)cc1.
What is the InChIKey of 6,13-diphenyl-5,12-dioxa-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),6,8,10,13-heptaene?
The InChIKey is QMZPUBJWAONVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2O2/c1-3-7-15(8-4-1)23-25-17-11-14-20-22-18(12-13-19(27-23)21(17)22)26-24(28-20)16-9-5-2-6-10-16/h1-14H.
What are the key properties of 6,13-diphenyl-5,12-dioxa-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),6,8,10,13-heptaene?
6,13-diphenyl-5,12-dioxa-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),6,8,10,13-heptaene has a molecular weight of 362.39 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-diphenyl-5,12-dioxa-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),6,8,10,13-heptaene is sourced from PubChem (CID 118881886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).