29-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-methyl-22,33-dioxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene

C58H36N4O2 — CID 161370781

IUPAC29-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-methyl-22,33-dioxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
SMILESCc1ccc2c(c1)c1ccccc1c1cc3c(cc21)oc1cc2c(cc13)Oc1ccccc1N2c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C58H36N4O2/c1-35-26-27-44-45(28-35)42-22-8-9-23-43(42)46-31-48-49-33-55-51(34-54(49)64-53(48)32-47(44)46)62(50-24-10-11-25-52(50)63-55)58-60-56(40-20-12-18-38(29-40)36-14-4-2-5-15-36)59-57(61-58)41-21-13-19-39(30-41)37-16-6-3-7-17-37/h2-34H,1H3
InChIKeyRLWYPFGPOSZOJO-UHFFFAOYSA-N
MW820.95 g/mol
LogP15.78
Rot. Bonds5

About 29-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-methyl-22,33-dioxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene

29-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-methyl-22,33-dioxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene (PubChem CID 161370781) has the molecular formula C58H36N4O2 and a molecular weight of 820.95 g/mol. Its IUPAC name is 29-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-methyl-22,33-dioxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene.

Molecular Properties

Compound Name29-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-methyl-22,33-dioxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
PubChem CID161370781
Molecular FormulaC58H36N4O2
Molecular Weight820.95 g/mol
Exact Mass820.28
IUPAC Name29-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-methyl-22,33-dioxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
SMILESCc1ccc2c(c1)c1ccccc1c1cc3c(cc21)oc1cc2c(cc13)Oc1ccccc1N2c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C58H36N4O2/c1-35-26-27-44-45(28-35)42-22-8-9-23-43(42)46-31-48-49-33-55-51(34-54(49)64-53(48)32-47(44)46)62(50-24-10-11-25-52(50)63-55)58-60-56(40-20-12-18-38(29-40)36-14-4-2-5-15-36)59-57(61-58)41-21-13-19-39(30-41)37-16-6-3-7-17-37/h2-34H,1H3
InChIKeyRLWYPFGPOSZOJO-UHFFFAOYSA-N
XLogP15.78
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.95
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 29-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-methyl-22,33-dioxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene with MolForge

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Related Compounds

5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 146992851
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-[1]benzofuro[2,3-b]carbazole
CID 66829163
[3-[4-phenoxazin-10-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 153495105
2,4-diphenyl-6-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,3,5-triazine
CID 158987075
2-(10-dibenzofuran-2-yltriphenylen-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166925794
3-[3-(9-dibenzofuran-4-ylcarbazol-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine
CID 134475762
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene
CID 134560001
2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 163895901
2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 146431776
2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407713
2-[10-(3-dibenzofuran-2-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925660
10-[2-dibenzofuran-3-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-4-pyridinyl]phenoxazine
CID 154600142

Frequently Asked Questions

What is the IUPAC name of 29-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-methyl-22,33-dioxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene?
The IUPAC name of 29-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-methyl-22,33-dioxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene (CID 161370781) is 29-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-methyl-22,33-dioxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene.
What is the SMILES notation for 29-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-methyl-22,33-dioxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene?
The canonical SMILES for 29-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-methyl-22,33-dioxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene is Cc1ccc2c(c1)c1ccccc1c1cc3c(cc21)oc1cc2c(cc13)Oc1ccccc1N2c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1.
What is the InChIKey of 29-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-methyl-22,33-dioxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene?
The InChIKey is RLWYPFGPOSZOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4O2/c1-35-26-27-44-45(28-35)42-22-8-9-23-43(42)46-31-48-49-33-55-51(34-54(49)64-53(48)32-47(44)46)62(50-24-10-11-25-52(50)63-55)58-60-56(40-20-12-18-38(29-40)36-14-4-2-5-15-36)59-57(61-58)41-21-13-19-39(30-41)37-16-6-3-7-17-37/h2-34H,1H3.
What are the key properties of 29-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-methyl-22,33-dioxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene?
29-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-methyl-22,33-dioxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene has a molecular weight of 820.95 g/mol, XLogP of 15.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 29-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-methyl-22,33-dioxa-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4(9),5,7,10,12,14,16,19,21(30),23,25,27,31-pentadecaene is sourced from PubChem (CID 161370781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).