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

C45H28N4O — CID 142377731

IUPAC9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c4c3)cc2)cc1
InChIInChI=1S/C45H28N4O/c1-3-12-29(13-4-1)30-22-24-31(25-23-30)33-26-27-35-34-16-7-9-19-38(34)49(39(35)28-33)45-47-43(32-14-5-2-6-15-32)46-44(48-45)37-18-11-21-41-42(37)36-17-8-10-20-40(36)50-41/h1-28H
InChIKeyMQFHZWSMFMGLDT-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

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

9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole (PubChem CID 142377731) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole
PubChem CID142377731
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c4c3)cc2)cc1
InChIInChI=1S/C45H28N4O/c1-3-12-29(13-4-1)30-22-24-31(25-23-30)33-26-27-35-34-16-7-9-19-38(34)49(39(35)28-33)45-47-43(32-14-5-2-6-15-32)46-44(48-45)37-18-11-21-41-42(37)36-17-8-10-20-40(36)50-41/h1-28H
InChIKeyMQFHZWSMFMGLDT-UHFFFAOYSA-N
XLogP11.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 155050536
9-[4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole
CID 174245138
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 118888358
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
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
9-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole
CID 135143755
2-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 167292938
2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171445377
9-[4-carbazol-9-yl-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 163941415
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342513
2-carbazol-9-yl-9-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 148703003
9-[4-(9-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358093

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole?
The IUPAC name of 9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole (CID 142377731) is 9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole.
What is the SMILES notation for 9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole?
The canonical SMILES for 9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c4c3)cc2)cc1.
What is the InChIKey of 9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole?
The InChIKey is MQFHZWSMFMGLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-3-12-29(13-4-1)30-22-24-31(25-23-30)33-26-27-35-34-16-7-9-19-38(34)49(39(35)28-33)45-47-43(32-14-5-2-6-15-32)46-44(48-45)37-18-11-21-41-42(37)36-17-8-10-20-40(36)50-41/h1-28H.
What are the key properties of 9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole?
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole has a molecular weight of 640.75 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole is sourced from PubChem (CID 142377731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).