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

C51H32N4O — CID 167309630

IUPAC9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenyldibenzofuran-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6cc(-c7ccccc7)c7oc8ccccc8c7c6)ccc54)c3)n2)cc1
InChIInChI=1S/C51H32N4O/c1-4-15-33(16-5-1)42-31-38(32-44-41-24-11-13-26-47(41)56-48(42)44)36-27-28-46-43(30-36)40-23-10-12-25-45(40)55(46)39-22-14-21-37(29-39)51-53-49(34-17-6-2-7-18-34)52-50(54-51)35-19-8-3-9-20-35/h1-32H
InChIKeyAGLOJPZSSSTBCC-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

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

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenyldibenzofuran-2-yl)carbazole (PubChem CID 167309630) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenyldibenzofuran-2-yl)carbazole.

Molecular Properties

Compound Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenyldibenzofuran-2-yl)carbazole
PubChem CID167309630
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenyldibenzofuran-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6cc(-c7ccccc7)c7oc8ccccc8c7c6)ccc54)c3)n2)cc1
InChIInChI=1S/C51H32N4O/c1-4-15-33(16-5-1)42-31-38(32-44-41-24-11-13-26-47(41)56-48(42)44)36-27-28-46-43(30-36)40-23-10-12-25-45(40)55(46)39-22-14-21-37(29-39)51-53-49(34-17-6-2-7-18-34)52-50(54-51)35-19-8-3-9-20-35/h1-32H
InChIKeyAGLOJPZSSSTBCC-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-(3-carbazol-9-ylphenyl)-9-[3-[3-[3-[4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]phenyl]phenyl]carbazole
CID 138718138
3-(3-carbazol-9-ylphenyl)-9-[3-[4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 138718163
9-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]-3-[3-(3-methylphenyl)phenyl]carbazole
CID 168837481
3-carbazol-9-yl-9-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147108476
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 146620661
3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 164998334
3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158205728
9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534356
5-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014926
3-[7-[4-[8-[4-[4-dibenzofuran-3-yl-6-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 170140037
3-dibenzofuran-2-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 159859933
5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole
CID 166916866

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenyldibenzofuran-2-yl)carbazole?
The IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenyldibenzofuran-2-yl)carbazole (CID 167309630) is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenyldibenzofuran-2-yl)carbazole.
What is the SMILES notation for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenyldibenzofuran-2-yl)carbazole?
The canonical SMILES for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenyldibenzofuran-2-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6cc(-c7ccccc7)c7oc8ccccc8c7c6)ccc54)c3)n2)cc1.
What is the InChIKey of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenyldibenzofuran-2-yl)carbazole?
The InChIKey is AGLOJPZSSSTBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-4-15-33(16-5-1)42-31-38(32-44-41-24-11-13-26-47(41)56-48(42)44)36-27-28-46-43(30-36)40-23-10-12-25-45(40)55(46)39-22-14-21-37(29-39)51-53-49(34-17-6-2-7-18-34)52-50(54-51)35-19-8-3-9-20-35/h1-32H.
What are the key properties of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenyldibenzofuran-2-yl)carbazole?
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenyldibenzofuran-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 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenyldibenzofuran-2-yl)carbazole is sourced from PubChem (CID 167309630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).