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

C51H31N5O — CID 135194988

IUPAC19-(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
SMILESc1ccc(-c2nc(-c3ccncc3)c(-n3c4ccccc4c4cc5c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c5cc43)nc2-c2ccccc2)cc1
InChIInChI=1S/C51H31N5O/c1-4-14-32(15-5-1)47-48(33-16-6-2-7-17-33)54-51(49(53-47)34-26-28-52-29-27-34)56-41-22-12-10-20-36(41)39-30-40-44(31-43(39)56)55(35-18-8-3-9-19-35)42-25-24-38-37-21-11-13-23-45(37)57-50(38)46(40)42/h1-31H
InChIKeyRXKILGRWHJMPMK-UHFFFAOYSA-N
MW729.84 g/mol
LogP12.97
Rot. Bonds5

About 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

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 (PubChem CID 135194988) has the molecular formula C51H31N5O and a molecular weight of 729.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name19-(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
PubChem CID135194988
Molecular FormulaC51H31N5O
Molecular Weight729.84 g/mol
Exact Mass729.25
IUPAC Name19-(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
SMILESc1ccc(-c2nc(-c3ccncc3)c(-n3c4ccccc4c4cc5c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c5cc43)nc2-c2ccccc2)cc1
InChIInChI=1S/C51H31N5O/c1-4-14-32(15-5-1)47-48(33-16-6-2-7-17-33)54-51(49(53-47)34-26-28-52-29-27-34)56-41-22-12-10-20-36(41)39-30-40-44(31-43(39)56)55(35-18-8-3-9-19-35)42-25-24-38-37-21-11-13-23-45(37)57-50(38)46(40)42/h1-31H
InChIKeyRXKILGRWHJMPMK-UHFFFAOYSA-N
XLogP12.97
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.84
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 140840864
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-2-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 121343859
22-phenyl-18-(4-phenylquinazolin-2-yl)-3-oxa-18,22-diazaoctacyclo[15.14.0.02,14.04,13.07,12.019,31.021,29.023,28]hentriaconta-1(17),2(14),4(13),5,7,9,11,15,19(31),20,23,25,27,29-tetradecaene
CID 129141852
5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 121343366
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118502718

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccncc3)c(-n3c4ccccc4c4cc5c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c5cc43)nc2-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is RXKILGRWHJMPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5O/c1-4-14-32(15-5-1)47-48(33-16-6-2-7-17-33)54-51(49(53-47)34-26-28-52-29-27-34)56-41-22-12-10-20-36(41)39-30-40-44(31-43(39)56)55(35-18-8-3-9-19-35)42-25-24-38-37-21-11-13-23-45(37)57-50(38)46(40)42/h1-31H.
What are the key properties of 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?
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 has a molecular weight of 729.84 g/mol, XLogP of 12.97, 5 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-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 is sourced from PubChem (CID 135194988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).