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

C43H26N4O — CID 167032741

IUPAC9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C43H26N4O/c1-2-13-28(14-3-1)41-44-42(30-23-22-27-12-4-5-15-29(27)26-30)46-43(45-41)34-24-25-37(40-39(34)33-18-8-11-21-38(33)48-40)47-35-19-9-6-16-31(35)32-17-7-10-20-36(32)47/h1-26H
InChIKeyXAQZBUQHHSLGDW-UHFFFAOYSA-N
MW614.71 g/mol
LogP11.02
Rot. Bonds4

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

9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole (PubChem CID 167032741) has the molecular formula C43H26N4O and a molecular weight of 614.71 g/mol. Its IUPAC name is 9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
PubChem CID167032741
Molecular FormulaC43H26N4O
Molecular Weight614.71 g/mol
Exact Mass614.21
IUPAC Name9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C43H26N4O/c1-2-13-28(14-3-1)41-44-42(30-23-22-27-12-4-5-15-29(27)26-30)46-43(45-41)34-24-25-37(40-39(34)33-18-8-11-21-38(33)48-40)47-35-19-9-6-16-31(35)32-17-7-10-20-36(32)47/h1-26H
InChIKeyXAQZBUQHHSLGDW-UHFFFAOYSA-N
XLogP11.02
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.71
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164714933
5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164715102
7-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzofuro[2,3-b]carbazole
CID 155158730
9-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole
CID 166495841
9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole
CID 166496041
5-[1-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164714899
9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 167032751
2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498
9-[1-dibenzofuran-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 166496108
12-[1-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 164714640
11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole
CID 164847979
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699493

Frequently Asked Questions

What is the IUPAC name of 9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole (CID 167032741) is 9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole?
The InChIKey is XAQZBUQHHSLGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4O/c1-2-13-28(14-3-1)41-44-42(30-23-22-27-12-4-5-15-29(27)26-30)46-43(45-41)34-24-25-37(40-39(34)33-18-8-11-21-38(33)48-40)47-35-19-9-6-16-31(35)32-17-7-10-20-36(32)47/h1-26H.
What are the key properties of 9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole?
9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole has a molecular weight of 614.71 g/mol, XLogP of 11.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 167032741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).