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

C51H32N4O — CID 167309800

IUPAC3-(9-phenyldibenzofuran-1-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6cccc7oc8cccc(-c9ccccc9)c8c67)ccc54)n3)cc2)cc1
InChIInChI=1S/C51H32N4O/c1-4-14-33(15-5-1)34-26-28-37(29-27-34)50-52-49(36-18-8-3-9-19-36)53-51(54-50)55-43-23-11-10-20-41(43)42-32-38(30-31-44(42)55)40-22-13-25-46-48(40)47-39(21-12-24-45(47)56-46)35-16-6-2-7-17-35/h1-32H
InChIKeyQNXABHRRDOHFGB-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

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

3-(9-phenyldibenzofuran-1-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 167309800) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 3-(9-phenyldibenzofuran-1-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name3-(9-phenyldibenzofuran-1-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
PubChem CID167309800
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name3-(9-phenyldibenzofuran-1-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6cccc7oc8cccc(-c9ccccc9)c8c67)ccc54)n3)cc2)cc1
InChIInChI=1S/C51H32N4O/c1-4-14-33(15-5-1)34-26-28-37(29-27-34)50-52-49(36-18-8-3-9-19-36)53-51(54-50)55-43-23-11-10-20-41(43)42-32-38(30-31-44(42)55)40-22-13-25-46-48(40)47-39(21-12-24-45(47)56-46)35-16-6-2-7-17-35/h1-32H
InChIKeyQNXABHRRDOHFGB-UHFFFAOYSA-N
XLogP13.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(9-phenyldibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309636
3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 166953160
3-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 167293093
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 118888358
9-[4-[3-(8-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358426
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(8-phenyldibenzofuran-1-yl)carbazole
CID 165078479
3-dibenzofuran-1-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-1-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzofuran-1-yl-9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 165084980
9-[4-(9-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358250
9-[4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358272
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
CID 138475173
9-[4-(7-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358254

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenyldibenzofuran-1-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 3-(9-phenyldibenzofuran-1-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 167309800) is 3-(9-phenyldibenzofuran-1-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 3-(9-phenyldibenzofuran-1-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 3-(9-phenyldibenzofuran-1-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6cccc7oc8cccc(-c9ccccc9)c8c67)ccc54)n3)cc2)cc1.
What is the InChIKey of 3-(9-phenyldibenzofuran-1-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is QNXABHRRDOHFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-4-14-33(15-5-1)34-26-28-37(29-27-34)50-52-49(36-18-8-3-9-19-36)53-51(54-50)55-43-23-11-10-20-41(43)42-32-38(30-31-44(42)55)40-22-13-25-46-48(40)47-39(21-12-24-45(47)56-46)35-16-6-2-7-17-35/h1-32H.
What are the key properties of 3-(9-phenyldibenzofuran-1-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
3-(9-phenyldibenzofuran-1-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 716.84 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenyldibenzofuran-1-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 167309800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).