2-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)-4-phenyl-6-[4-[17-(4-pyridin-2-ylphenyl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl]phenyl]-1,3,5-triazine

C70H38N4O4 — CID 142377878

IUPAC2-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)-4-phenyl-6-[4-[17-(4-pyridin-2-ylphenyl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)oc4ccc6oc7cc(-c8ccc(-c9ccccn9)cc8)c8ccccc8c7c6c45)cc3)nc(-c3cc4oc5ccc6ccccc6c5c4c4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C70H38N4O4/c1-2-13-43(14-3-1)68-72-69(74-70(73-68)52-38-60-66(64-49-18-8-9-20-54(49)78-67(52)64)61-46-15-5-4-12-40(46)30-32-55(61)76-60)44-27-21-39(22-28-44)45-29-31-50-58(36-45)75-56-33-34-57-65(63(50)56)62-48-17-7-6-16-47(48)51(37-59(62)77-57)41-23-25-42(26-24-41)53-19-10-11-35-71-53/h1-38H
InChIKeyGJRYEDAGDCWERG-UHFFFAOYSA-N
MW999.10 g/mol
LogP19.17
Rot. Bonds6

About 2-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)-4-phenyl-6-[4-[17-(4-pyridin-2-ylphenyl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl]phenyl]-1,3,5-triazine

2-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)-4-phenyl-6-[4-[17-(4-pyridin-2-ylphenyl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl]phenyl]-1,3,5-triazine (PubChem CID 142377878) has the molecular formula C70H38N4O4 and a molecular weight of 999.10 g/mol. Its IUPAC name is 2-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)-4-phenyl-6-[4-[17-(4-pyridin-2-ylphenyl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)-4-phenyl-6-[4-[17-(4-pyridin-2-ylphenyl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl]phenyl]-1,3,5-triazine
PubChem CID142377878
Molecular FormulaC70H38N4O4
Molecular Weight999.10 g/mol
Exact Mass998.29
IUPAC Name2-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)-4-phenyl-6-[4-[17-(4-pyridin-2-ylphenyl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)oc4ccc6oc7cc(-c8ccc(-c9ccccn9)cc8)c8ccccc8c7c6c45)cc3)nc(-c3cc4oc5ccc6ccccc6c5c4c4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C70H38N4O4/c1-2-13-43(14-3-1)68-72-69(74-70(73-68)52-38-60-66(64-49-18-8-9-20-54(49)78-67(52)64)61-46-15-5-4-12-40(46)30-32-55(61)76-60)44-27-21-39(22-28-44)45-29-31-50-58(36-45)75-56-33-34-57-65(63(50)56)62-48-17-7-6-16-47(48)51(37-59(62)77-57)41-23-25-42(26-24-41)53-19-10-11-35-71-53/h1-38H
InChIKeyGJRYEDAGDCWERG-UHFFFAOYSA-N
XLogP19.17
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.10
LogP ≤ 519.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)-4-phenyl-6-[4-[17-(4-pyridin-2-ylphenyl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl]phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-[1-(4-pyridin-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 142491071
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142353224
2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 167424104
4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 155077811
2-(14,26-dioxaheptacyclo[21.2.1.05,25.06,18.07,15.08,13.019,24]hexacosa-1,3,5,7(15),8,10,12,16,18,20,22,24-dodecaen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166096250
2-(4-dibenzofuran-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzofuran-2-ylphenyl)-6-[4-[3-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158936996
2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166845989
2-dibenzofuran-4-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741541
2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
CID 166867385
2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496815
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167402174
2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176817775

Frequently Asked Questions

What is the IUPAC name of 2-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)-4-phenyl-6-[4-[17-(4-pyridin-2-ylphenyl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)-4-phenyl-6-[4-[17-(4-pyridin-2-ylphenyl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl]phenyl]-1,3,5-triazine (CID 142377878) is 2-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)-4-phenyl-6-[4-[17-(4-pyridin-2-ylphenyl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)-4-phenyl-6-[4-[17-(4-pyridin-2-ylphenyl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)-4-phenyl-6-[4-[17-(4-pyridin-2-ylphenyl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)oc4ccc6oc7cc(-c8ccc(-c9ccccn9)cc8)c8ccccc8c7c6c45)cc3)nc(-c3cc4oc5ccc6ccccc6c5c4c4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)-4-phenyl-6-[4-[17-(4-pyridin-2-ylphenyl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl]phenyl]-1,3,5-triazine?
The InChIKey is GJRYEDAGDCWERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H38N4O4/c1-2-13-43(14-3-1)68-72-69(74-70(73-68)52-38-60-66(64-49-18-8-9-20-54(49)78-67(52)64)61-46-15-5-4-12-40(46)30-32-55(61)76-60)44-27-21-39(22-28-44)45-29-31-50-58(36-45)75-56-33-34-57-65(63(50)56)62-48-17-7-6-16-47(48)51(37-59(62)77-57)41-23-25-42(26-24-41)53-19-10-11-35-71-53/h1-38H.
What are the key properties of 2-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)-4-phenyl-6-[4-[17-(4-pyridin-2-ylphenyl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl]phenyl]-1,3,5-triazine?
2-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)-4-phenyl-6-[4-[17-(4-pyridin-2-ylphenyl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl]phenyl]-1,3,5-triazine has a molecular weight of 999.10 g/mol, XLogP of 19.17, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)-4-phenyl-6-[4-[17-(4-pyridin-2-ylphenyl)-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaen-6-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 142377878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).