20-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,20-triazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene

C50H30N6O — CID 177077173

IUPAC20-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,20-triazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4cc5ccc6c(nc(-c7ccccc7)n6-c6ccccc6)c5cc43)n2)cc1
InChIInChI=1S/C50H30N6O/c1-4-14-31(15-5-1)47-52-48(34-24-26-38-37-21-11-13-23-44(37)57-45(38)29-34)54-50(53-47)56-41-22-12-10-20-36(41)40-28-33-25-27-42-46(39(33)30-43(40)56)51-49(32-16-6-2-7-17-32)55(42)35-18-8-3-9-19-35/h1-30H
InChIKeyLEACFUDGEJMOTN-UHFFFAOYSA-N
MW730.83 g/mol
LogP12.36
Rot. Bonds5

About 20-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,20-triazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene

20-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,20-triazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene (PubChem CID 177077173) has the molecular formula C50H30N6O and a molecular weight of 730.83 g/mol. Its IUPAC name is 20-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,20-triazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene.

Molecular Properties

Compound Name20-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,20-triazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene
PubChem CID177077173
Molecular FormulaC50H30N6O
Molecular Weight730.83 g/mol
Exact Mass730.25
IUPAC Name20-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,20-triazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4cc5ccc6c(nc(-c7ccccc7)n6-c6ccccc6)c5cc43)n2)cc1
InChIInChI=1S/C50H30N6O/c1-4-14-31(15-5-1)47-52-48(34-24-26-38-37-21-11-13-23-44(37)57-45(38)29-34)54-50(53-47)56-41-22-12-10-20-36(41)40-28-33-25-27-42-46(39(33)30-43(40)56)51-49(32-16-6-2-7-17-32)55(42)35-18-8-3-9-19-35/h1-30H
InChIKeyLEACFUDGEJMOTN-UHFFFAOYSA-N
XLogP12.36
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.83
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 20-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,20-triazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene with MolForge

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Related Compounds

14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,14-triazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene
CID 177077207
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 146641949
2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342798
11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 134168976
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-25-phenyl-5-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 140957247
11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 118154464
3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164954379
3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 158642418
3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163958673
2-dibenzofuran-2-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 164970157
5-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 169014221
2-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 166009472

Frequently Asked Questions

What is the IUPAC name of 20-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,20-triazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene?
The IUPAC name of 20-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,20-triazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene (CID 177077173) is 20-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,20-triazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene.
What is the SMILES notation for 20-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,20-triazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene?
The canonical SMILES for 20-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,20-triazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4cc5ccc6c(nc(-c7ccccc7)n6-c6ccccc6)c5cc43)n2)cc1.
What is the InChIKey of 20-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,20-triazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene?
The InChIKey is LEACFUDGEJMOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N6O/c1-4-14-31(15-5-1)47-52-48(34-24-26-38-37-21-11-13-23-44(37)57-45(38)29-34)54-50(53-47)56-41-22-12-10-20-36(41)40-28-33-25-27-42-46(39(33)30-43(40)56)51-49(32-16-6-2-7-17-32)55(42)35-18-8-3-9-19-35/h1-30H.
What are the key properties of 20-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,20-triazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene?
20-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,20-triazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene has a molecular weight of 730.83 g/mol, XLogP of 12.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,20-triazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene is sourced from PubChem (CID 177077173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).