16-phenyl-14-(3-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C32H20N2O — CID 129129170

IUPAC16-phenyl-14-(3-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)c4c(n3)oc3ccc5ccccc5c34)c2)cc1
InChIInChI=1S/C32H20N2O/c1-3-10-21(11-4-1)24-15-9-16-25(20-24)31-33-30(23-13-5-2-6-14-23)29-28-26-17-8-7-12-22(26)18-19-27(28)35-32(29)34-31/h1-20H
InChIKeyLPIIWLGRCKTECQ-UHFFFAOYSA-N
MW448.53 g/mol
LogP8.53
Rot. Bonds3

About 16-phenyl-14-(3-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

16-phenyl-14-(3-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 129129170) has the molecular formula C32H20N2O and a molecular weight of 448.53 g/mol. Its IUPAC name is 16-phenyl-14-(3-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

Compound Name16-phenyl-14-(3-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
PubChem CID129129170
Molecular FormulaC32H20N2O
Molecular Weight448.53 g/mol
Exact Mass448.16
IUPAC Name16-phenyl-14-(3-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)c4c(n3)oc3ccc5ccccc5c34)c2)cc1
InChIInChI=1S/C32H20N2O/c1-3-10-21(11-4-1)24-15-9-16-25(20-24)31-33-30(23-13-5-2-6-14-23)29-28-26-17-8-7-12-22(26)18-19-27(28)35-32(29)34-31/h1-20H
InChIKeyLPIIWLGRCKTECQ-UHFFFAOYSA-N
XLogP8.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 16-phenyl-14-(3-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene with MolForge

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Related Compounds

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2-(3-phenylphenyl)-4-[4-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
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4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[3-[3-[4-[2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
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12-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-14-phenyl-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;18-phenyl-16-[3-[3-(4-phenylphenyl)phenyl]phenyl]-21-oxa-17,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
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2-(3-naphthalen-1-yl-5-phenylphenyl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 16-phenyl-14-(3-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The IUPAC name of 16-phenyl-14-(3-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 129129170) is 16-phenyl-14-(3-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.
What is the SMILES notation for 16-phenyl-14-(3-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The canonical SMILES for 16-phenyl-14-(3-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is c1ccc(-c2cccc(-c3nc(-c4ccccc4)c4c(n3)oc3ccc5ccccc5c34)c2)cc1.
What is the InChIKey of 16-phenyl-14-(3-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The InChIKey is LPIIWLGRCKTECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2O/c1-3-10-21(11-4-1)24-15-9-16-25(20-24)31-33-30(23-13-5-2-6-14-23)29-28-26-17-8-7-12-22(26)18-19-27(28)35-32(29)34-31/h1-20H.
What are the key properties of 16-phenyl-14-(3-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
16-phenyl-14-(3-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 448.53 g/mol, XLogP of 8.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-phenyl-14-(3-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 129129170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).