16-[4-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene

C64H39N5O — CID 166584334

IUPAC16-[4-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6cc7c8ccccc8n(-c8ccccc8)c7cc6c5c4)cc3)nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)n2)cc1
InChIInChI=1S/C64H39N5O/c1-4-16-41(17-5-1)60-55-38-54-49-24-10-12-28-57(49)69(47-22-8-3-9-23-47)58(54)39-52(55)53-37-44(34-35-56(53)65-60)40-30-32-43(33-31-40)63-66-62(42-18-6-2-7-19-42)67-64(68-63)46-21-14-20-45(36-46)48-26-15-27-51-50-25-11-13-29-59(50)70-61(48)51/h1-39H
InChIKeyJHIYCOJEGQHCON-UHFFFAOYSA-N
MW894.05 g/mol
LogP16.57
Rot. Bonds7

About 16-[4-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene

16-[4-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene (PubChem CID 166584334) has the molecular formula C64H39N5O and a molecular weight of 894.05 g/mol. Its IUPAC name is 16-[4-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene.

Molecular Properties

Compound Name16-[4-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene
PubChem CID166584334
Molecular FormulaC64H39N5O
Molecular Weight894.05 g/mol
Exact Mass893.32
IUPAC Name16-[4-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6cc7c8ccccc8n(-c8ccccc8)c7cc6c5c4)cc3)nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)n2)cc1
InChIInChI=1S/C64H39N5O/c1-4-16-41(17-5-1)60-55-38-54-49-24-10-12-28-57(49)69(47-22-8-3-9-23-47)58(54)39-52(55)53-37-44(34-35-56(53)65-60)40-30-32-43(33-31-40)63-66-62(42-18-6-2-7-19-42)67-64(68-63)46-21-14-20-45(36-46)48-26-15-27-51-50-25-11-13-29-59(50)70-61(48)51/h1-39H
InChIKeyJHIYCOJEGQHCON-UHFFFAOYSA-N
XLogP16.57
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.05
LogP ≤ 516.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 16-[4-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene with MolForge

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Related Compounds

3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145159061
3-[7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342628
9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 148610640
2-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342631
9-phenyl-3-[6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 163662188
9-phenyl-2-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 165375461
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6,9-diphenylcarbazole
CID 122501692
3-dibenzofuran-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 158611861
9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534356
17-[4-[6-(3-dibenzofuran-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 166584667
5-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014926
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene
CID 164723877

Frequently Asked Questions

What is the IUPAC name of 16-[4-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene?
The IUPAC name of 16-[4-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene (CID 166584334) is 16-[4-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene.
What is the SMILES notation for 16-[4-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene?
The canonical SMILES for 16-[4-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene is c1ccc(-c2nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6cc7c8ccccc8n(-c8ccccc8)c7cc6c5c4)cc3)nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.
What is the InChIKey of 16-[4-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene?
The InChIKey is JHIYCOJEGQHCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39N5O/c1-4-16-41(17-5-1)60-55-38-54-49-24-10-12-28-57(49)69(47-22-8-3-9-23-47)58(54)39-52(55)53-37-44(34-35-56(53)65-60)40-30-32-43(33-31-40)63-66-62(42-18-6-2-7-19-42)67-64(68-63)46-21-14-20-45(36-46)48-26-15-27-51-50-25-11-13-29-59(50)70-61(48)51/h1-39H.
What are the key properties of 16-[4-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene?
16-[4-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene has a molecular weight of 894.05 g/mol, XLogP of 16.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[4-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene is sourced from PubChem (CID 166584334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).