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

C49H36N4O — CID 167001652

IUPAC9-[4-[4-(3-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-dibenzofuran-4-ylcarbazole
SMILESCCCCc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)n2)c1
InChIInChI=1S/C49H36N4O/c1-2-3-13-32-14-11-17-36(30-32)49-51-47(33-15-5-4-6-16-33)50-48(52-49)34-24-27-37(28-25-34)53-43-22-9-7-18-39(43)42-31-35(26-29-44(42)53)38-20-12-21-41-40-19-8-10-23-45(40)54-46(38)41/h4-12,14-31H,2-3,13H2,1H3
InChIKeyJYDWGTXHLXVEPL-UHFFFAOYSA-N
MW696.85 g/mol
LogP12.88
Rot. Bonds8

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

9-[4-[4-(3-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-dibenzofuran-4-ylcarbazole (PubChem CID 167001652) has the molecular formula C49H36N4O and a molecular weight of 696.85 g/mol. Its IUPAC name is 9-[4-[4-(3-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-dibenzofuran-4-ylcarbazole.

Molecular Properties

Compound Name9-[4-[4-(3-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-dibenzofuran-4-ylcarbazole
PubChem CID167001652
Molecular FormulaC49H36N4O
Molecular Weight696.85 g/mol
Exact Mass696.29
IUPAC Name9-[4-[4-(3-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-dibenzofuran-4-ylcarbazole
SMILESCCCCc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)n2)c1
InChIInChI=1S/C49H36N4O/c1-2-3-13-32-14-11-17-36(30-32)49-51-47(33-15-5-4-6-16-33)50-48(52-49)34-24-27-37(28-25-34)53-43-22-9-7-18-39(43)42-31-35(26-29-44(42)53)38-20-12-21-41-40-19-8-10-23-45(40)54-46(38)41/h4-12,14-31H,2-3,13H2,1H3
InChIKeyJYDWGTXHLXVEPL-UHFFFAOYSA-N
XLogP12.88
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.85
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170251153
3-[7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342628
3-dibenzofuran-3-yl-9-[4-[4-phenyl-6-(3-propylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167001747
9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534356
3-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 126580295
10-butyl-5-[4-[4-(4-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 166953720
9-(6-phenyldibenzofuran-2-yl)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080693
3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145159061
3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 164983818
3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 158642416
3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 159582452
9-phenyl-3-[6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 163662188

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(3-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-dibenzofuran-4-ylcarbazole?
The IUPAC name of 9-[4-[4-(3-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-dibenzofuran-4-ylcarbazole (CID 167001652) is 9-[4-[4-(3-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-dibenzofuran-4-ylcarbazole.
What is the SMILES notation for 9-[4-[4-(3-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-dibenzofuran-4-ylcarbazole?
The canonical SMILES for 9-[4-[4-(3-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-dibenzofuran-4-ylcarbazole is CCCCc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)n2)c1.
What is the InChIKey of 9-[4-[4-(3-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-dibenzofuran-4-ylcarbazole?
The InChIKey is JYDWGTXHLXVEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N4O/c1-2-3-13-32-14-11-17-36(30-32)49-51-47(33-15-5-4-6-16-33)50-48(52-49)34-24-27-37(28-25-34)53-43-22-9-7-18-39(43)42-31-35(26-29-44(42)53)38-20-12-21-41-40-19-8-10-23-45(40)54-46(38)41/h4-12,14-31H,2-3,13H2,1H3.
What are the key properties of 9-[4-[4-(3-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-dibenzofuran-4-ylcarbazole?
9-[4-[4-(3-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-dibenzofuran-4-ylcarbazole has a molecular weight of 696.85 g/mol, XLogP of 12.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(3-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-dibenzofuran-4-ylcarbazole is sourced from PubChem (CID 167001652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).