2-[8-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-9-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine

C178H112N12O4 — CID 159325303

IUPAC2-[8-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-9-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)cc3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6cc7ccccc7c7ccccc67)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc(-c7ccccc7)c(-c7ccccc7)c6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7ccc8ccccc8c7c6)cc5c34)n2)cc1
InChIInChI=1S/C51H33N3O.C45H29N3O.2C41H25N3O/c1-5-14-34(15-6-1)41-30-42(35-16-7-2-8-17-35)32-43(31-41)37-26-24-36(25-27-37)40-28-29-46-45(33-40)48-44(22-13-23-47(48)55-46)51-53-49(38-18-9-3-10-19-38)52-50(54-51)39-20-11-4-12-21-39;1-5-14-30(15-6-1)36-26-24-34(28-38(36)31-16-7-2-8-17-31)35-25-27-40-39(29-35)42-37(22-13-23-41(42)49-40)45-47-43(32-18-9-3-10-19-32)46-44(48-45)33-20-11-4-12-21-33;1-3-12-26(13-4-1)39-42-40(27-14-5-2-6-15-27)44-41(43-39)33-20-11-21-37-38(33)35-25-29(22-23-36(35)45-37)34-24-28-16-7-8-17-30(28)31-18-9-10-19-32(31)34;1-3-11-28(12-4-1)39-42-40(29-13-5-2-6-14-29)44-41(43-39)33-16-9-17-37-38(33)35-25-31(22-23-36(35)45-37)30-21-20-27-19-18-26-10-7-8-15-32(26)34(27)24-30/h1-33H;1-29H;2*1-25H
InChIKeyLEHACDBYRXKSLV-UHFFFAOYSA-N
MW2482.93 g/mol
LogP46.70
Rot. Bonds21

About 2-[8-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-9-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine

2-[8-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-9-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 159325303) has the molecular formula C178H112N12O4 and a molecular weight of 2482.93 g/mol. Its IUPAC name is 2-[8-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-9-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-9-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID159325303
Molecular FormulaC178H112N12O4
Molecular Weight2482.93 g/mol
Exact Mass2480.89
IUPAC Name2-[8-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-9-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)cc3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6cc7ccccc7c7ccccc67)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc(-c7ccccc7)c(-c7ccccc7)c6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7ccc8ccccc8c7c6)cc5c34)n2)cc1
InChIInChI=1S/C51H33N3O.C45H29N3O.2C41H25N3O/c1-5-14-34(15-6-1)41-30-42(35-16-7-2-8-17-35)32-43(31-41)37-26-24-36(25-27-37)40-28-29-46-45(33-40)48-44(22-13-23-47(48)55-46)51-53-49(38-18-9-3-10-19-38)52-50(54-51)39-20-11-4-12-21-39;1-5-14-30(15-6-1)36-26-24-34(28-38(36)31-16-7-2-8-17-31)35-25-27-40-39(29-35)42-37(22-13-23-41(42)49-40)45-47-43(32-18-9-3-10-19-32)46-44(48-45)33-20-11-4-12-21-33;1-3-12-26(13-4-1)39-42-40(27-14-5-2-6-15-27)44-41(43-39)33-20-11-21-37-38(33)35-25-29(22-23-36(35)45-37)34-24-28-16-7-8-17-30(28)31-18-9-10-19-32(31)34;1-3-11-28(12-4-1)39-42-40(29-13-5-2-6-14-29)44-41(43-39)33-16-9-17-37-38(33)35-25-31(22-23-36(35)45-37)30-21-20-27-19-18-26-10-7-8-15-32(26)34(27)24-30/h1-33H;1-29H;2*1-25H
InChIKeyLEHACDBYRXKSLV-UHFFFAOYSA-N
XLogP46.70
TPSA207.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002482.93
LogP ≤ 546.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[8-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-9-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-(3-phenylphenyl)-6-[8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946253
2-[8-[4-(2,4-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 160543565
2,4-diphenyl-6-[8-[4-phenyl-3-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199084
2-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134198849
2-(8-phenanthren-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 142353054
2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 134199075
2-[6-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[6-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4-phenanthren-9-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4-(8-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165010231
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170016837
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742506
2-[4-(8-phenanthren-3-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140946132
2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163478028
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763

Frequently Asked Questions

What is the IUPAC name of 2-[8-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-9-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[8-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-9-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine (CID 159325303) is 2-[8-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-9-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[8-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-9-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[8-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-9-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)cc3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6cc7ccccc7c7ccccc67)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc(-c7ccccc7)c(-c7ccccc7)c6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7ccc8ccccc8c7c6)cc5c34)n2)cc1.
What is the InChIKey of 2-[8-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-9-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is LEHACDBYRXKSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O.C45H29N3O.2C41H25N3O/c1-5-14-34(15-6-1)41-30-42(35-16-7-2-8-17-35)32-43(31-41)37-26-24-36(25-27-37)40-28-29-46-45(33-40)48-44(22-13-23-47(48)55-46)51-53-49(38-18-9-3-10-19-38)52-50(54-51)39-20-11-4-12-21-39;1-5-14-30(15-6-1)36-26-24-34(28-38(36)31-16-7-2-8-17-31)35-25-27-40-39(29-35)42-37(22-13-23-41(42)49-40)45-47-43(32-18-9-3-10-19-32)46-44(48-45)33-20-11-4-12-21-33;1-3-12-26(13-4-1)39-42-40(27-14-5-2-6-15-27)44-41(43-39)33-20-11-21-37-38(33)35-25-29(22-23-36(35)45-37)34-24-28-16-7-8-17-30(28)31-18-9-10-19-32(31)34;1-3-11-28(12-4-1)39-42-40(29-13-5-2-6-14-29)44-41(43-39)33-16-9-17-37-38(33)35-25-31(22-23-36(35)45-37)30-21-20-27-19-18-26-10-7-8-15-32(26)34(27)24-30/h1-33H;1-29H;2*1-25H.
What are the key properties of 2-[8-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-9-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
2-[8-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-9-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2482.93 g/mol, XLogP of 46.70, 21 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-9-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 159325303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).