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

C51H30N4O2 — CID 166495859

IUPAC9-[7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3c(-c5ccccc5)cc(-n5c6ccccc6c6ccccc65)cc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C51H30N4O2/c1-3-14-31(15-4-1)40-29-34(55-42-22-10-7-18-35(42)36-19-8-11-23-43(36)55)30-41-37-27-26-33(28-46(37)57-48(40)41)50-52-49(32-16-5-2-6-17-32)53-51(54-50)39-21-13-25-45-47(39)38-20-9-12-24-44(38)56-45/h1-30H
InChIKeySNEQXIWTDDMOOV-UHFFFAOYSA-N
MW730.83 g/mol
LogP13.44
Rot. Bonds5

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

9-[7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole (PubChem CID 166495859) has the molecular formula C51H30N4O2 and a molecular weight of 730.83 g/mol. Its IUPAC name is 9-[7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-[7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole
PubChem CID166495859
Molecular FormulaC51H30N4O2
Molecular Weight730.83 g/mol
Exact Mass730.24
IUPAC Name9-[7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3c(-c5ccccc5)cc(-n5c6ccccc6c6ccccc65)cc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C51H30N4O2/c1-3-14-31(15-4-1)40-29-34(55-42-22-10-7-18-35(42)36-19-8-11-23-43(36)55)30-41-37-27-26-33(28-46(37)57-48(40)41)50-52-49(32-16-5-2-6-17-32)53-51(54-50)39-21-13-25-45-47(39)38-20-9-12-24-44(38)56-45/h1-30H
InChIKeySNEQXIWTDDMOOV-UHFFFAOYSA-N
XLogP13.44
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.83
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 170228264
9-[4-phenyl-7-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 170078239
9-[4-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 166495968
5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 163705036
9-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 166953309
9-phenyl-2-[6-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 155477559
9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole
CID 166495942
9-[4-(6-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358189
9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534619
9-[2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole
CID 170192949
9-[4-[4-(7-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358295
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342513

Frequently Asked Questions

What is the IUPAC name of 9-[7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole?
The IUPAC name of 9-[7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole (CID 166495859) is 9-[7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3c(-c5ccccc5)cc(-n5c6ccccc6c6ccccc65)cc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 9-[7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole?
The InChIKey is SNEQXIWTDDMOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O2/c1-3-14-31(15-4-1)40-29-34(55-42-22-10-7-18-35(42)36-19-8-11-23-43(36)55)30-41-37-27-26-33(28-46(37)57-48(40)41)50-52-49(32-16-5-2-6-17-32)53-51(54-50)39-21-13-25-45-47(39)38-20-9-12-24-44(38)56-45/h1-30H.
What are the key properties of 9-[7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole?
9-[7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole has a molecular weight of 730.83 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole is sourced from PubChem (CID 166495859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).