19-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene

C51H28N4O2 — CID 176917192

IUPAC19-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4oc5ccc(-n6c7cccc8c9ccccc9c9cccc6c9c87)cc5c34)n2)cc1
InChIInChI=1S/C51H28N4O2/c1-2-11-29(12-3-1)49-52-50(30-23-25-35-34-15-6-7-21-42(34)57-45(35)27-30)54-51(53-49)38-18-10-22-44-46(38)39-28-31(24-26-43(39)56-44)55-40-19-8-16-36-32-13-4-5-14-33(32)37-17-9-20-41(55)48(37)47(36)40/h1-28H
InChIKeyGAIPZQJMQWDMLZ-UHFFFAOYSA-N
MW728.81 g/mol
LogP13.51
Rot. Bonds4

About 19-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene

19-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene (PubChem CID 176917192) has the molecular formula C51H28N4O2 and a molecular weight of 728.81 g/mol. Its IUPAC name is 19-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene.

Molecular Properties

Compound Name19-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene
PubChem CID176917192
Molecular FormulaC51H28N4O2
Molecular Weight728.81 g/mol
Exact Mass728.22
IUPAC Name19-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4oc5ccc(-n6c7cccc8c9ccccc9c9cccc6c9c87)cc5c34)n2)cc1
InChIInChI=1S/C51H28N4O2/c1-2-11-29(12-3-1)49-52-50(30-23-25-35-34-15-6-7-21-42(34)57-45(35)27-30)54-51(53-49)38-18-10-22-44-46(38)39-28-31(24-26-43(39)56-44)55-40-19-8-16-36-32-13-4-5-14-33(32)37-17-9-20-41(55)48(37)47(36)40/h1-28H
InChIKeyGAIPZQJMQWDMLZ-UHFFFAOYSA-N
XLogP13.51
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.81
LogP ≤ 513.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 19-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene with MolForge

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Related Compounds

9-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 166953309
19-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene
CID 176917131
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 146491123
4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-dibenzofuran-2-ylcarbazole
CID 139556325
9-(3-phenylphenyl)-3-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 168767909
9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole
CID 166962097
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-triphenylen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 135166098
12-[9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 146491103
3-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 168768287
9-phenyl-14-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176817804
2-dibenzofuran-3-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 140946348
9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole
CID 168769949

Frequently Asked Questions

What is the IUPAC name of 19-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene?
The IUPAC name of 19-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene (CID 176917192) is 19-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene.
What is the SMILES notation for 19-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene?
The canonical SMILES for 19-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4oc5ccc(-n6c7cccc8c9ccccc9c9cccc6c9c87)cc5c34)n2)cc1.
What is the InChIKey of 19-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene?
The InChIKey is GAIPZQJMQWDMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N4O2/c1-2-11-29(12-3-1)49-52-50(30-23-25-35-34-15-6-7-21-42(34)57-45(35)27-30)54-51(53-49)38-18-10-22-44-46(38)39-28-31(24-26-43(39)56-44)55-40-19-8-16-36-32-13-4-5-14-33(32)37-17-9-20-41(55)48(37)47(36)40/h1-28H.
What are the key properties of 19-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene?
19-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene has a molecular weight of 728.81 g/mol, XLogP of 13.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene is sourced from PubChem (CID 176917192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).