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

C57H38N4O — CID 167032127

IUPAC4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3-c3ccc(-n4c5ccccc5c5c(-c6cccc7oc8ccccc8c67)cccc54)cc3)NC(c3cccc(-c4ccccc4)c3)=N2)cc1
InChIInChI=1S/C57H38N4O/c1-3-16-37(17-4-1)40-20-13-21-41(36-40)56-58-55(39-18-5-2-6-19-39)59-57(60-56)46-23-8-7-22-43(46)38-32-34-42(35-33-38)61-49-28-11-9-24-47(49)53-44(26-14-29-50(53)61)45-27-15-31-52-54(45)48-25-10-12-30-51(48)62-52/h1-36,57H,(H,58,59,60)
InChIKeyUCXAOVWMOONKSZ-UHFFFAOYSA-N
MW794.96 g/mol
LogP14.18
Rot. Bonds7

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

4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (PubChem CID 167032127) has the molecular formula C57H38N4O and a molecular weight of 794.96 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
PubChem CID167032127
Molecular FormulaC57H38N4O
Molecular Weight794.96 g/mol
Exact Mass794.30
IUPAC Name4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3-c3ccc(-n4c5ccccc5c5c(-c6cccc7oc8ccccc8c67)cccc54)cc3)NC(c3cccc(-c4ccccc4)c3)=N2)cc1
InChIInChI=1S/C57H38N4O/c1-3-16-37(17-4-1)40-20-13-21-41(36-40)56-58-55(39-18-5-2-6-19-39)59-57(60-56)46-23-8-7-22-43(46)38-32-34-42(35-33-38)61-49-28-11-9-24-47(49)53-44(26-14-29-50(53)61)45-27-15-31-52-54(45)48-25-10-12-30-51(48)62-52/h1-36,57H,(H,58,59,60)
InChIKeyUCXAOVWMOONKSZ-UHFFFAOYSA-N
XLogP14.18
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.96
LogP ≤ 514.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174272126
12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole
CID 162363400
3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 162698987
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-[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
9-[7-(2-dibenzofuran-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 146395683
4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174274036
1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole
CID 174274955
9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 167200274
2-(9-phenylcarbazol-4-yl)-4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 142592733
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611
9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]-4-phenylcarbazole
CID 166961274

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The IUPAC name of 4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (CID 167032127) is 4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is c1ccc(C2=NC(c3ccccc3-c3ccc(-n4c5ccccc5c5c(-c6cccc7oc8ccccc8c67)cccc54)cc3)NC(c3cccc(-c4ccccc4)c3)=N2)cc1.
What is the InChIKey of 4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The InChIKey is UCXAOVWMOONKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N4O/c1-3-16-37(17-4-1)40-20-13-21-41(36-40)56-58-55(39-18-5-2-6-19-39)59-57(60-56)46-23-8-7-22-43(46)38-32-34-42(35-33-38)61-49-28-11-9-24-47(49)53-44(26-14-29-50(53)61)45-27-15-31-52-54(45)48-25-10-12-30-51(48)62-52/h1-36,57H,(H,58,59,60).
What are the key properties of 4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole has a molecular weight of 794.96 g/mol, XLogP of 14.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 167032127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).