2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine

C78H48N6O2 — CID 170116450

IUPAC2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6cc(-c8cccc(-c9ccccc9)c8)ccc67)n5)cc4)c4c(c3)oc3c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc34)cc2)cc1
InChIInChI=1S/C78H48N6O2/c1-6-19-49(20-7-1)51-35-37-52(38-36-51)61-46-67(70-64-32-18-34-66(72(64)86-69(70)48-61)78-82-73(54-23-10-3-11-24-54)79-74(83-78)55-25-12-4-13-26-55)53-39-41-57(42-40-53)76-80-75(56-27-14-5-15-28-56)81-77(84-76)65-33-17-31-63-62-44-43-60(47-68(62)85-71(63)65)59-30-16-29-58(45-59)50-21-8-2-9-22-50/h1-48H
InChIKeyDOJQTRUMNYNDPE-UHFFFAOYSA-N
MW1101.28 g/mol
LogP20.19
Rot. Bonds11

About 2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine

2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine (PubChem CID 170116450) has the molecular formula C78H48N6O2 and a molecular weight of 1101.28 g/mol. Its IUPAC name is 2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine
PubChem CID170116450
Molecular FormulaC78H48N6O2
Molecular Weight1101.28 g/mol
Exact Mass1100.38
IUPAC Name2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6cc(-c8cccc(-c9ccccc9)c8)ccc67)n5)cc4)c4c(c3)oc3c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc34)cc2)cc1
InChIInChI=1S/C78H48N6O2/c1-6-19-49(20-7-1)51-35-37-52(38-36-51)61-46-67(70-64-32-18-34-66(72(64)86-69(70)48-61)78-82-73(54-23-10-3-11-24-54)79-74(83-78)55-25-12-4-13-26-55)53-39-41-57(42-40-53)76-80-75(56-27-14-5-15-28-56)81-77(84-76)65-33-17-31-63-62-44-43-60(47-68(62)85-71(63)65)59-30-16-29-58(45-59)50-21-8-2-9-22-50/h1-48H
InChIKeyDOJQTRUMNYNDPE-UHFFFAOYSA-N
XLogP20.19
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001101.28
LogP ≤ 520.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-[7-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 166953095
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 137496589
2-phenyl-4-(7-phenyldibenzofuran-3-yl)-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155477108
2-[3-(7,9-diphenyldibenzofuran-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 164838484
2-[6-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170364256
2-phenyl-4-[7-(4-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170206765
2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 163803934
2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166845989
2-dibenzofuran-4-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741541
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170186979
2-dibenzofuran-3-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 166952205
2-dibenzofuran-4-yl-4-[4-(6-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 177269991

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine (CID 170116450) is 2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6cc(-c8cccc(-c9ccccc9)c8)ccc67)n5)cc4)c4c(c3)oc3c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc34)cc2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine?
The InChIKey is DOJQTRUMNYNDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N6O2/c1-6-19-49(20-7-1)51-35-37-52(38-36-51)61-46-67(70-64-32-18-34-66(72(64)86-69(70)48-61)78-82-73(54-23-10-3-11-24-54)79-74(83-78)55-25-12-4-13-26-55)53-39-41-57(42-40-53)76-80-75(56-27-14-5-15-28-56)81-77(84-76)65-33-17-31-63-62-44-43-60(47-68(62)85-71(63)65)59-30-16-29-58(45-59)50-21-8-2-9-22-50/h1-48H.
What are the key properties of 2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine?
2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine has a molecular weight of 1101.28 g/mol, XLogP of 20.19, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine is sourced from PubChem (CID 170116450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).