14-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-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

C45H26N4O2 — CID 176837396

IUPAC14-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-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
SMILESc1ccc(-c2nc(-c3cccc4oc5cccc(-c6ccccc6)c5c34)nc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)n2)cc1
InChIInChI=1S/C45H26N4O2/c1-3-13-27(14-4-1)29-19-11-23-36-40(29)42-32(20-12-24-37(42)51-36)44-46-43(28-15-5-2-6-16-28)47-45(48-44)49-33-21-9-7-17-30(33)39-34(49)25-26-38-41(39)31-18-8-10-22-35(31)50-38/h1-26H
InChIKeyJNTJNGLUPJMTLS-UHFFFAOYSA-N
MW654.73 g/mol
LogP11.77
Rot. Bonds4

About 14-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-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

14-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-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 (PubChem CID 176837396) has the molecular formula C45H26N4O2 and a molecular weight of 654.73 g/mol. Its IUPAC name is 14-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-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.

Molecular Properties

Compound Name14-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-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
PubChem CID176837396
Molecular FormulaC45H26N4O2
Molecular Weight654.73 g/mol
Exact Mass654.21
IUPAC Name14-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-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
SMILESc1ccc(-c2nc(-c3cccc4oc5cccc(-c6ccccc6)c5c34)nc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)n2)cc1
InChIInChI=1S/C45H26N4O2/c1-3-13-27(14-4-1)29-19-11-23-36-40(29)42-32(20-12-24-37(42)51-36)44-46-43(28-15-5-2-6-16-28)47-45(48-44)49-33-21-9-7-17-30(33)39-34(49)25-26-38-41(39)31-18-8-10-22-35(31)50-38/h1-26H
InChIKeyJNTJNGLUPJMTLS-UHFFFAOYSA-N
XLogP11.77
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.73
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 14-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-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 with MolForge

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Related Compounds

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
14-[4-(9-phenyldibenzofuran-3-yl)-6-(2-phenylphenyl)-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 164932831
9-[4-(9-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358093
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 170106843
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-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 166592067
4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 170366972
9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-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 166592032
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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 147983982
4-carbazol-9-yl-9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 142537341
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 118888358

Frequently Asked Questions

What is the IUPAC name of 14-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-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?
The IUPAC name of 14-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-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 176837396) is 14-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-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.
What is the SMILES notation for 14-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-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?
The canonical SMILES for 14-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-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 is c1ccc(-c2nc(-c3cccc4oc5cccc(-c6ccccc6)c5c34)nc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)n2)cc1.
What is the InChIKey of 14-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-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?
The InChIKey is JNTJNGLUPJMTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4O2/c1-3-13-27(14-4-1)29-19-11-23-36-40(29)42-32(20-12-24-37(42)51-36)44-46-43(28-15-5-2-6-16-28)47-45(48-44)49-33-21-9-7-17-30(33)39-34(49)25-26-38-41(39)31-18-8-10-22-35(31)50-38/h1-26H.
What are the key properties of 14-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-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?
14-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-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 has a molecular weight of 654.73 g/mol, XLogP of 11.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-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 is sourced from PubChem (CID 176837396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).