9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole

C51H34N4O — CID 163680137

IUPAC9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole
SMILESc1ccc(C2=NC(c3cc(-c4ccccc4)cc4oc5cc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)ccc5c34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C51H34N4O/c1-5-15-33(16-6-1)37-25-28-45-42(29-37)40-23-13-14-24-44(40)55(45)39-26-27-41-46(32-39)56-47-31-38(34-17-7-2-8-18-34)30-43(48(41)47)51-53-49(35-19-9-3-10-20-35)52-50(54-51)36-21-11-4-12-22-36/h1-32,49H,(H,52,53,54)
InChIKeyJKDGNGOHZJFHEM-UHFFFAOYSA-N
MW718.86 g/mol
LogP12.51
Rot. Bonds6

About 9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole

9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole (PubChem CID 163680137) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole
PubChem CID163680137
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC Name9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole
SMILESc1ccc(C2=NC(c3cc(-c4ccccc4)cc4oc5cc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)ccc5c34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C51H34N4O/c1-5-15-33(16-6-1)37-25-28-45-42(29-37)40-23-13-14-24-44(40)55(45)39-26-27-41-46(32-39)56-47-31-38(34-17-7-2-8-18-34)30-43(48(41)47)51-53-49(35-19-9-3-10-20-35)52-50(54-51)36-21-11-4-12-22-36/h1-32,49H,(H,52,53,54)
InChIKeyJKDGNGOHZJFHEM-UHFFFAOYSA-N
XLogP12.51
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 512.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961445
9-[17-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]-2-phenylcarbazole
CID 146665085
9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 167200274
3-[4-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 166914794
3-[9-[9-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137218561
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611
9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]dibenzofuran-2-yl]carbazole
CID 166962098
2-phenyl-9-[8-[2-phenyl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]carbazole
CID 166961321
3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 154938549
9-[9-(2-dibenzofuran-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole
CID 166961520
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
2,6-di(carbazol-9-yl)-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole
CID 153304562

Frequently Asked Questions

What is the IUPAC name of 9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole?
The IUPAC name of 9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole (CID 163680137) is 9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole.
What is the SMILES notation for 9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole?
The canonical SMILES for 9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole is c1ccc(C2=NC(c3cc(-c4ccccc4)cc4oc5cc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)ccc5c34)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole?
The InChIKey is JKDGNGOHZJFHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-5-15-33(16-6-1)37-25-28-45-42(29-37)40-23-13-14-24-44(40)55(45)39-26-27-41-46(32-39)56-47-31-38(34-17-7-2-8-18-34)30-43(48(41)47)51-53-49(35-19-9-3-10-20-35)52-50(54-51)36-21-11-4-12-22-36/h1-32,49H,(H,52,53,54).
What are the key properties of 9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole?
9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole has a molecular weight of 718.86 g/mol, XLogP of 12.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole is sourced from PubChem (CID 163680137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).