24-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21(32),22,24,26,28,30-pentadecaene

C45H26N4O — CID 168728525

IUPAC24-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21(32),22,24,26,28,30-pentadecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c3c3ccccc3n5-c3c(ccc5c3oc3ccccc35)-c3ccccc3-4)n2)cc1
InChIInChI=1S/C45H26N4O/c1-3-13-27(14-4-1)43-46-44(28-15-5-2-6-16-28)48-45(47-43)36-26-24-32-29-17-7-8-18-30(29)33-23-25-34-31-19-10-12-22-38(31)50-42(34)41(33)49-37-21-11-9-20-35(37)39(36)40(32)49/h1-26H
InChIKeyLDMFGGRDTIDWEQ-UHFFFAOYSA-N
MW638.73 g/mol
LogP11.52
Rot. Bonds3

About 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21(32),22,24,26,28,30-pentadecaene

24-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21(32),22,24,26,28,30-pentadecaene (PubChem CID 168728525) has the molecular formula C45H26N4O and a molecular weight of 638.73 g/mol. Its IUPAC name is 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21(32),22,24,26,28,30-pentadecaene.

Molecular Properties

Compound Name24-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21(32),22,24,26,28,30-pentadecaene
PubChem CID168728525
Molecular FormulaC45H26N4O
Molecular Weight638.73 g/mol
Exact Mass638.21
IUPAC Name24-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21(32),22,24,26,28,30-pentadecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c3c3ccccc3n5-c3c(ccc5c3oc3ccccc35)-c3ccccc3-4)n2)cc1
InChIInChI=1S/C45H26N4O/c1-3-13-27(14-4-1)43-46-44(28-15-5-2-6-16-28)48-45(47-43)36-26-24-32-29-17-7-8-18-30(29)33-23-25-34-31-19-10-12-22-38(31)50-42(34)41(33)49-37-21-11-9-20-35(37)39(36)40(32)49/h1-26H
InChIKeyLDMFGGRDTIDWEQ-UHFFFAOYSA-N
XLogP11.52
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.73
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21(32),22,24,26,28,30-pentadecaene with MolForge

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Related Compounds

21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 164847930
4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 174250140
2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741910
5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 176837415
carbanide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-oxa-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 159261054
14-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176837448
5-[3-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699199
12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118888305
4-dibenzofuran-4-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491359
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166915499
24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-12,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 146280481
4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163746946

Frequently Asked Questions

What is the IUPAC name of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21(32),22,24,26,28,30-pentadecaene?
The IUPAC name of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21(32),22,24,26,28,30-pentadecaene (CID 168728525) is 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21(32),22,24,26,28,30-pentadecaene.
What is the SMILES notation for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21(32),22,24,26,28,30-pentadecaene?
The canonical SMILES for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21(32),22,24,26,28,30-pentadecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c3c3ccccc3n5-c3c(ccc5c3oc3ccccc35)-c3ccccc3-4)n2)cc1.
What is the InChIKey of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21(32),22,24,26,28,30-pentadecaene?
The InChIKey is LDMFGGRDTIDWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4O/c1-3-13-27(14-4-1)43-46-44(28-15-5-2-6-16-28)48-45(47-43)36-26-24-32-29-17-7-8-18-30(29)33-23-25-34-31-19-10-12-22-38(31)50-42(34)41(33)49-37-21-11-9-20-35(37)39(36)40(32)49/h1-26H.
What are the key properties of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21(32),22,24,26,28,30-pentadecaene?
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21(32),22,24,26,28,30-pentadecaene has a molecular weight of 638.73 g/mol, XLogP of 11.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21(32),22,24,26,28,30-pentadecaene is sourced from PubChem (CID 168728525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).