9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,4-diphenylcarbazole

C51H32N4O — CID 155203348

IUPAC9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,4-diphenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4n(-c4ccc5c(c4)oc4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc45)c3c2)cc1
InChIInChI=1S/C51H32N4O/c1-5-15-33(16-6-1)38-29-43(34-17-7-2-8-18-34)48-42-23-13-14-24-44(42)55(45(48)30-38)39-26-28-41-40-27-25-37(31-46(40)56-47(41)32-39)51-53-49(35-19-9-3-10-20-35)52-50(54-51)36-21-11-4-12-22-36/h1-32H
InChIKeyIQGJKXJZSPPFHT-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

About 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,4-diphenylcarbazole

9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,4-diphenylcarbazole (PubChem CID 155203348) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,4-diphenylcarbazole.

Molecular Properties

Compound Name9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,4-diphenylcarbazole
PubChem CID155203348
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,4-diphenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4n(-c4ccc5c(c4)oc4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc45)c3c2)cc1
InChIInChI=1S/C51H32N4O/c1-5-15-33(16-6-1)38-29-43(34-17-7-2-8-18-34)48-42-23-13-14-24-44(42)55(45(48)30-38)39-26-28-41-40-27-25-37(31-46(40)56-47(41)32-39)51-53-49(35-19-9-3-10-20-35)52-50(54-51)36-21-11-4-12-22-36/h1-32H
InChIKeyIQGJKXJZSPPFHT-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-dibenzofuran-3-yl-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087437
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146335707
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(8-phenyldibenzofuran-3-yl)carbazole
CID 162775252
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(7-phenyldibenzofuran-2-yl)carbazole
CID 162775165
4-phenyl-9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087478
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)carbazole
CID 170539165
4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146337627
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(4-phenylphenyl)dibenzofuran-3-yl]carbazole
CID 170081092
9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole
CID 165093740
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-17-yl]carbazole
CID 146664710
9-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole
CID 165057427
9-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747351

Frequently Asked Questions

What is the IUPAC name of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,4-diphenylcarbazole?
The IUPAC name of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,4-diphenylcarbazole (CID 155203348) is 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,4-diphenylcarbazole.
What is the SMILES notation for 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,4-diphenylcarbazole?
The canonical SMILES for 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,4-diphenylcarbazole is c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4n(-c4ccc5c(c4)oc4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc45)c3c2)cc1.
What is the InChIKey of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,4-diphenylcarbazole?
The InChIKey is IQGJKXJZSPPFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-5-15-33(16-6-1)38-29-43(34-17-7-2-8-18-34)48-42-23-13-14-24-44(42)55(45(48)30-38)39-26-28-41-40-27-25-37(31-46(40)56-47(41)32-39)51-53-49(35-19-9-3-10-20-35)52-50(54-51)36-21-11-4-12-22-36/h1-32H.
What are the key properties of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,4-diphenylcarbazole?
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,4-diphenylcarbazole 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-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,4-diphenylcarbazole is sourced from PubChem (CID 155203348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).