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

C51H32N4O — CID 162775185

IUPAC9-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5c(c4)oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C51H32N4O/c1-4-15-33(16-5-1)35-19-14-20-37(29-35)50-52-49(34-17-6-2-7-18-34)53-51(54-50)38-31-42(48-41-24-11-13-26-46(41)56-47(48)32-38)36-27-28-45-43(30-36)40-23-10-12-25-44(40)55(45)39-21-8-3-9-22-39/h1-32H
InChIKeyNIPUJWMEFRLDNQ-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

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

9-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole (PubChem CID 162775185) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 9-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
PubChem CID162775185
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name9-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5c(c4)oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C51H32N4O/c1-4-15-33(16-5-1)35-19-14-20-37(29-35)50-52-49(34-17-6-2-7-18-34)53-51(54-50)38-31-42(48-41-24-11-13-26-46(41)56-47(48)32-38)36-27-28-45-43(30-36)40-23-10-12-25-44(40)55(45)39-21-8-3-9-22-39/h1-32H
InChIKeyNIPUJWMEFRLDNQ-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-dibenzofuran-1-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165052317
9-phenyl-3-[9-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 168768735
9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149426
3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenyl-2-triphenylen-2-ylcarbazole
CID 163786924
3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole
CID 158968251
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-6,9-diphenylcarbazole
CID 156549397
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyldibenzofuran-2-yl]-9-phenylcarbazole
CID 129291963
3-dibenzofuran-1-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 129292083
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
3-[9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118888276

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole?
The IUPAC name of 9-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole (CID 162775185) is 9-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5c(c4)oc4ccccc45)n3)c2)cc1.
What is the InChIKey of 9-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole?
The InChIKey is NIPUJWMEFRLDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-4-15-33(16-5-1)35-19-14-20-37(29-35)50-52-49(34-17-6-2-7-18-34)53-51(54-50)38-31-42(48-41-24-11-13-26-46(41)56-47(48)32-38)36-27-28-45-43(30-36)40-23-10-12-25-44(40)55(45)39-21-8-3-9-22-39/h1-32H.
What are the key properties of 9-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole?
9-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-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-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole is sourced from PubChem (CID 162775185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).