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

C51H32N4O — CID 171445377

IUPAC2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)nc(-c5cccc6oc7ccccc7c56)n4)c3)cc2)cc1
InChIInChI=1S/C51H32N4O/c1-3-13-33(14-4-1)34-25-27-35(28-26-34)36-15-11-16-37(31-36)49-52-50(54-51(53-49)43-21-12-24-47-48(43)42-20-8-10-23-46(42)56-47)38-29-30-41-40-19-7-9-22-44(40)55(45(41)32-38)39-17-5-2-6-18-39/h1-32H
InChIKeySYDHOMQNTXRRCJ-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

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

2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 171445377) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
PubChem CID171445377
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)nc(-c5cccc6oc7ccccc7c56)n4)c3)cc2)cc1
InChIInChI=1S/C51H32N4O/c1-3-13-33(14-4-1)34-25-27-35(28-26-34)36-15-11-16-37(31-36)49-52-50(54-51(53-49)43-21-12-24-47-48(43)42-20-8-10-23-46(42)56-47)38-29-30-41-40-19-7-9-22-44(40)55(45(41)32-38)39-17-5-2-6-18-39/h1-32H
InChIKeySYDHOMQNTXRRCJ-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

9-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole
CID 135143755
9-[4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole
CID 174245138
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342513
2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole
CID 165375370
2-dibenzofuran-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 161252356
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole
CID 142377731
2-carbazol-9-yl-9-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 148703003
1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;1-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163850805
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
2-[4-dibenzofuran-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 169280137
9-(4-dibenzofuran-1-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole
CID 171437931
5-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174270378

Frequently Asked Questions

What is the IUPAC name of 2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The IUPAC name of 2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 171445377) is 2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole is c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)nc(-c5cccc6oc7ccccc7c56)n4)c3)cc2)cc1.
What is the InChIKey of 2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The InChIKey is SYDHOMQNTXRRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-3-13-33(14-4-1)34-25-27-35(28-26-34)36-15-11-16-37(31-36)49-52-50(54-51(53-49)43-21-12-24-47-48(43)42-20-8-10-23-46(42)56-47)38-29-30-41-40-19-7-9-22-44(40)55(45(41)32-38)39-17-5-2-6-18-39/h1-32H.
What are the key properties of 2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole?
2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole 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 2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 171445377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).