8-(4-phenylpyrimidin-2-yl)-10-oxa-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene

C23H14N4O — CID 144848539

IUPAC8-(4-phenylpyrimidin-2-yl)-10-oxa-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
SMILESc1ccc(-c2ccnc(-n3c4ncccc4c4c5ccccc5oc43)n2)cc1
InChIInChI=1S/C23H14N4O/c1-2-7-15(8-3-1)18-12-14-25-23(26-18)27-21-17(10-6-13-24-21)20-16-9-4-5-11-19(16)28-22(20)27/h1-14H
InChIKeyCKAYWOXNLPUITD-UHFFFAOYSA-N
MW362.39 g/mol
LogP5.38
Rot. Bonds2

About 8-(4-phenylpyrimidin-2-yl)-10-oxa-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene

8-(4-phenylpyrimidin-2-yl)-10-oxa-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene (PubChem CID 144848539) has the molecular formula C23H14N4O and a molecular weight of 362.39 g/mol. Its IUPAC name is 8-(4-phenylpyrimidin-2-yl)-10-oxa-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene.

Molecular Properties

Compound Name8-(4-phenylpyrimidin-2-yl)-10-oxa-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
PubChem CID144848539
Molecular FormulaC23H14N4O
Molecular Weight362.39 g/mol
Exact Mass362.12
IUPAC Name8-(4-phenylpyrimidin-2-yl)-10-oxa-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
SMILESc1ccc(-c2ccnc(-n3c4ncccc4c4c5ccccc5oc43)n2)cc1
InChIInChI=1S/C23H14N4O/c1-2-7-15(8-3-1)18-12-14-25-23(26-18)27-21-17(10-6-13-24-21)20-16-9-4-5-11-19(16)28-22(20)27/h1-14H
InChIKeyCKAYWOXNLPUITD-UHFFFAOYSA-N
XLogP5.38
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.39
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(4-phenylpyrimidin-2-yl)-10-oxa-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene with MolForge

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Related Compounds

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-6,10,12-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene
CID 118104663
8-[4-(10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 144848479
24-(4-phenylpyrimidin-2-yl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 122525282
8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 118104763
5-[4-[2-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 163673833
9-(4-phenylpyrimidin-2-yl)-14-(5-phenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126755686
8-[2-(10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-8-yl)pyrimidin-4-yl]-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 118104728
8-(2-phenylpyrimidin-4-yl)-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene
CID 144848550
6-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]indole
CID 118488614
8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-4,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 144848562
9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;methane
CID 158582109
16-(4,6-diphenylpyrimidin-2-yl)-2,8,14,16-tetrazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene
CID 118458468

Frequently Asked Questions

What is the IUPAC name of 8-(4-phenylpyrimidin-2-yl)-10-oxa-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
The IUPAC name of 8-(4-phenylpyrimidin-2-yl)-10-oxa-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene (CID 144848539) is 8-(4-phenylpyrimidin-2-yl)-10-oxa-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene.
What is the SMILES notation for 8-(4-phenylpyrimidin-2-yl)-10-oxa-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
The canonical SMILES for 8-(4-phenylpyrimidin-2-yl)-10-oxa-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene is c1ccc(-c2ccnc(-n3c4ncccc4c4c5ccccc5oc43)n2)cc1.
What is the InChIKey of 8-(4-phenylpyrimidin-2-yl)-10-oxa-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
The InChIKey is CKAYWOXNLPUITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N4O/c1-2-7-15(8-3-1)18-12-14-25-23(26-18)27-21-17(10-6-13-24-21)20-16-9-4-5-11-19(16)28-22(20)27/h1-14H.
What are the key properties of 8-(4-phenylpyrimidin-2-yl)-10-oxa-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
8-(4-phenylpyrimidin-2-yl)-10-oxa-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene has a molecular weight of 362.39 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-phenylpyrimidin-2-yl)-10-oxa-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene is sourced from PubChem (CID 144848539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).