19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15,22-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene

C57H35N5O — CID 135195032

IUPAC19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15,22-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene
SMILESc1ccc(-c2ccc3c4cc5c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c5cc4n(-c4nc(-c5ccccc5)c(-c5ccccc5)nc4-c4ccncc4)c3c2)cc1
InChIInChI=1S/C57H35N5O/c1-5-15-36(16-6-1)40-25-26-42-45-34-46-50(61(41-21-11-4-12-22-41)47-28-27-44-43-23-13-14-24-51(43)63-56(44)52(46)47)35-49(45)62(48(42)33-40)57-55(39-29-31-58-32-30-39)59-53(37-17-7-2-8-18-37)54(60-57)38-19-9-3-10-20-38/h1-35H
InChIKeySZILLUOCQSUMOH-UHFFFAOYSA-N
MW805.94 g/mol
LogP14.63
Rot. Bonds6

About 19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15,22-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene

19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15,22-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene (PubChem CID 135195032) has the molecular formula C57H35N5O and a molecular weight of 805.94 g/mol. Its IUPAC name is 19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15,22-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene.

Molecular Properties

Compound Name19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15,22-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene
PubChem CID135195032
Molecular FormulaC57H35N5O
Molecular Weight805.94 g/mol
Exact Mass805.28
IUPAC Name19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15,22-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene
SMILESc1ccc(-c2ccc3c4cc5c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c5cc4n(-c4nc(-c5ccccc5)c(-c5ccccc5)nc4-c4ccncc4)c3c2)cc1
InChIInChI=1S/C57H35N5O/c1-5-15-36(16-6-1)40-25-26-42-45-34-46-50(61(41-21-11-4-12-22-41)47-28-27-44-43-23-13-14-24-51(43)63-56(44)52(46)47)35-49(45)62(48(42)33-40)57-55(39-29-31-58-32-30-39)59-53(37-17-7-2-8-18-37)54(60-57)38-19-9-3-10-20-38/h1-35H
InChIKeySZILLUOCQSUMOH-UHFFFAOYSA-N
XLogP14.63
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.94
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15,22-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene with MolForge

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Related Compounds

19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 135194988
15,22-diphenyl-19-(3,5,6-triphenylpyrazin-2-yl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3,5,6-triphenylpyrazin-2-yl)carbazole;7-phenyl-10-[7-phenyl-9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 161458434
9-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-2-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 135194990
17-phenyl-34-(4-phenylphenyl)-6,23-dioxa-17,34-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene
CID 149105992
15,19-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 126679130
5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 140840864
5-phenyl-2-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 121343859
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
15-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 140957411
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134489560
2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223669
5-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole
CID 134223386

Frequently Asked Questions

What is the IUPAC name of 19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15,22-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene?
The IUPAC name of 19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15,22-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene (CID 135195032) is 19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15,22-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene.
What is the SMILES notation for 19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15,22-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene?
The canonical SMILES for 19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15,22-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene is c1ccc(-c2ccc3c4cc5c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c5cc4n(-c4nc(-c5ccccc5)c(-c5ccccc5)nc4-c4ccncc4)c3c2)cc1.
What is the InChIKey of 19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15,22-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene?
The InChIKey is SZILLUOCQSUMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O/c1-5-15-36(16-6-1)40-25-26-42-45-34-46-50(61(41-21-11-4-12-22-41)47-28-27-44-43-23-13-14-24-51(43)63-56(44)52(46)47)35-49(45)62(48(42)33-40)57-55(39-29-31-58-32-30-39)59-53(37-17-7-2-8-18-37)54(60-57)38-19-9-3-10-20-38/h1-35H.
What are the key properties of 19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15,22-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene?
19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15,22-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene has a molecular weight of 805.94 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15,22-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene is sourced from PubChem (CID 135195032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).