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

C45H30N4O — CID 170144355

IUPAC7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-1,2-dihydrocarbazole
SMILESC1=Cc2c(n(-c3ccccc3)c3cc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)ccc23)CC1
InChIInChI=1S/C45H30N4O/c1-4-13-29(14-5-1)43-46-44(30-15-6-2-7-16-30)48-45(47-43)36-20-12-22-41-42(36)37-27-31(24-26-40(37)50-41)32-23-25-35-34-19-10-11-21-38(34)49(39(35)28-32)33-17-8-3-9-18-33/h1-10,12-20,22-28H,11,21H2
InChIKeyMMDZOVFEYLGXGN-UHFFFAOYSA-N
MW642.76 g/mol
LogP11.34
Rot. Bonds5

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

7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-1,2-dihydrocarbazole (PubChem CID 170144355) has the molecular formula C45H30N4O and a molecular weight of 642.76 g/mol. Its IUPAC name is 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-1,2-dihydrocarbazole.

Molecular Properties

Compound Name7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-1,2-dihydrocarbazole
PubChem CID170144355
Molecular FormulaC45H30N4O
Molecular Weight642.76 g/mol
Exact Mass642.24
IUPAC Name7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-1,2-dihydrocarbazole
SMILESC1=Cc2c(n(-c3ccccc3)c3cc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)ccc23)CC1
InChIInChI=1S/C45H30N4O/c1-4-13-29(14-5-1)43-46-44(30-15-6-2-7-16-30)48-45(47-43)36-20-12-22-41-42(36)37-27-31(24-26-40(37)50-41)32-23-25-35-34-19-10-11-21-38(34)49(39(35)28-32)33-17-8-3-9-18-33/h1-10,12-20,22-28H,11,21H2
InChIKeyMMDZOVFEYLGXGN-UHFFFAOYSA-N
XLogP11.34
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-3-yl]-1,2-dihydrocarbazole
CID 170074157
7-[4-[4-(8-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 170264425
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 155050536
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-triphenylen-1-ylcarbazole
CID 154602338
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole
CID 154602051
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342513
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 165008539
2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170017751
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
2-(4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 161127098

Frequently Asked Questions

What is the IUPAC name of 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-1,2-dihydrocarbazole?
The IUPAC name of 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-1,2-dihydrocarbazole (CID 170144355) is 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-1,2-dihydrocarbazole.
What is the SMILES notation for 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-1,2-dihydrocarbazole?
The canonical SMILES for 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-1,2-dihydrocarbazole is C1=Cc2c(n(-c3ccccc3)c3cc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)ccc23)CC1.
What is the InChIKey of 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-1,2-dihydrocarbazole?
The InChIKey is MMDZOVFEYLGXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4O/c1-4-13-29(14-5-1)43-46-44(30-15-6-2-7-16-30)48-45(47-43)36-20-12-22-41-42(36)37-27-31(24-26-40(37)50-41)32-23-25-35-34-19-10-11-21-38(34)49(39(35)28-32)33-17-8-3-9-18-33/h1-10,12-20,22-28H,11,21H2.
What are the key properties of 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-1,2-dihydrocarbazole?
7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-1,2-dihydrocarbazole has a molecular weight of 642.76 g/mol, XLogP of 11.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-1,2-dihydrocarbazole is sourced from PubChem (CID 170144355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).