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

C51H32N4O — CID 166495909

IUPAC9-[2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-n7c8ccccc8c8ccccc87)cc(-c7ccccc7)cc6c45)n3)c2)cc1
InChIInChI=1S/C51H32N4O/c1-4-16-33(17-5-1)36-22-14-23-37(30-36)50-52-49(35-20-8-3-9-21-35)53-51(54-50)41-26-15-29-46-47(41)42-31-38(34-18-6-2-7-19-34)32-45(48(42)56-46)55-43-27-12-10-24-39(43)40-25-11-13-28-44(40)55/h1-32H
InChIKeyOGXVNAVKCKMPSF-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

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

9-[2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole (PubChem CID 166495909) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 9-[2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
PubChem CID166495909
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name9-[2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-n7c8ccccc8c8ccccc87)cc(-c7ccccc7)cc6c45)n3)c2)cc1
InChIInChI=1S/C51H32N4O/c1-4-16-33(17-5-1)36-22-14-23-37(30-36)50-52-49(35-20-8-3-9-21-35)53-51(54-50)41-26-15-29-46-47(41)42-31-38(34-18-6-2-7-19-34)32-45(48(42)56-46)55-43-27-12-10-24-39(43)40-25-11-13-28-44(40)55/h1-32H
InChIKeyOGXVNAVKCKMPSF-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-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole
CID 166496047
7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole
CID 166495798
9-[4-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 166495968
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166495776
2,6-diphenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146333950
9-[4-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 166495889
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 169010518
9-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 165166776
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole
CID 130327397
9-[4-phenyl-6-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169060933
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 137496780

Frequently Asked Questions

What is the IUPAC name of 9-[2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole (CID 166495909) is 9-[2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-n7c8ccccc8c8ccccc87)cc(-c7ccccc7)cc6c45)n3)c2)cc1.
What is the InChIKey of 9-[2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
The InChIKey is OGXVNAVKCKMPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-4-16-33(17-5-1)36-22-14-23-37(30-36)50-52-49(35-20-8-3-9-21-35)53-51(54-50)41-26-15-29-46-47(41)42-31-38(34-18-6-2-7-19-34)32-45(48(42)56-46)55-43-27-12-10-24-39(43)40-25-11-13-28-44(40)55/h1-32H.
What are the key properties of 9-[2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
9-[2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-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-[2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 166495909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).