5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole

C53H32N4O — CID 166699258

IUPAC5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C53H32N4O/c1-2-13-33(14-3-1)34-25-27-36(28-26-34)51-54-52(41-22-12-18-35-15-6-7-19-39(35)41)56-53(55-51)43-29-30-46(49-42-21-9-11-24-48(42)58-50(43)49)57-45-23-10-8-20-40(45)44-31-37-16-4-5-17-38(37)32-47(44)57/h1-32H
InChIKeyFHMOJAUAOCGPGP-UHFFFAOYSA-N
MW740.87 g/mol
LogP13.84
Rot. Bonds5

About 5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole

5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole (PubChem CID 166699258) has the molecular formula C53H32N4O and a molecular weight of 740.87 g/mol. Its IUPAC name is 5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
PubChem CID166699258
Molecular FormulaC53H32N4O
Molecular Weight740.87 g/mol
Exact Mass740.26
IUPAC Name5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C53H32N4O/c1-2-13-33(14-3-1)34-25-27-36(28-26-34)51-54-52(41-22-12-18-35-15-6-7-19-39(35)41)56-53(55-51)43-29-30-46(49-42-21-9-11-24-48(42)58-50(43)49)57-45-23-10-8-20-40(45)44-31-37-16-4-5-17-38(37)32-47(44)57/h1-32H
InChIKeyFHMOJAUAOCGPGP-UHFFFAOYSA-N
XLogP13.84
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.87
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-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 155042959
5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164715102
5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699659
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699493
5-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164714933
5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 163680086
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylnaphthalen-1-yl]benzo[b]carbazole
CID 155450400
5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699331
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[1,2-b][1]benzofuran-6-ylphenyl]benzo[b]carbazole
CID 155474561
5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 155159192
5-[2-naphtho[1,2-b][1]benzofuran-7-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155474711
5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699141

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole (CID 166699258) is 5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5c4oc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?
The InChIKey is FHMOJAUAOCGPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O/c1-2-13-33(14-3-1)34-25-27-36(28-26-34)51-54-52(41-22-12-18-35-15-6-7-19-39(35)41)56-53(55-51)43-29-30-46(49-42-21-9-11-24-48(42)58-50(43)49)57-45-23-10-8-20-40(45)44-31-37-16-4-5-17-38(37)32-47(44)57/h1-32H.
What are the key properties of 5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?
5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole has a molecular weight of 740.87 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole is sourced from PubChem (CID 166699258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).