10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole

C53H32N4O — CID 142569857

IUPAC10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5c(-c6cccc7oc8ccccc8c67)cccc5c5ccc6ccccc6c54)n3)cc2)cc1
InChIInChI=1S/C53H32N4O/c1-2-12-33(13-3-1)35-24-27-37(28-25-35)51-54-52(39-29-26-34-14-4-5-16-38(34)32-39)56-53(55-51)57-49-40-17-7-6-15-36(40)30-31-44(49)43-21-10-20-42(50(43)57)41-19-11-23-47-48(41)45-18-8-9-22-46(45)58-47/h1-32H
InChIKeyIMNOZTANHPPICB-UHFFFAOYSA-N
MW740.87 g/mol
LogP13.84
Rot. Bonds5

About 10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole

10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole (PubChem CID 142569857) has the molecular formula C53H32N4O and a molecular weight of 740.87 g/mol. Its IUPAC name is 10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole.

Molecular Properties

Compound Name10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
PubChem CID142569857
Molecular FormulaC53H32N4O
Molecular Weight740.87 g/mol
Exact Mass740.26
IUPAC Name10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5c(-c6cccc7oc8ccccc8c67)cccc5c5ccc6ccccc6c54)n3)cc2)cc1
InChIInChI=1S/C53H32N4O/c1-2-12-33(13-3-1)35-24-27-37(28-25-35)51-54-52(39-29-26-34-14-4-5-16-38(34)32-39)56-53(55-51)57-49-40-17-7-6-15-36(40)30-31-44(49)43-21-10-20-42(50(43)57)41-19-11-23-47-48(41)45-18-8-9-22-46(45)58-47/h1-32H
InChIKeyIMNOZTANHPPICB-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

8-dibenzofuran-1-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane
CID 142571739
ethane;11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole
CID 142570407
11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-naphtho[2,3-b][1]benzofuran-6-ylbenzo[a]carbazole
CID 142570633
21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-dibenzofuran-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142570754
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-dibenzothiophen-1-ylbenzo[a]carbazole
CID 142570657
2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164737117
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane
CID 142569985
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
19-dibenzofuran-1-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142571311
2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164978651

Frequently Asked Questions

What is the IUPAC name of 10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole?
The IUPAC name of 10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole (CID 142569857) is 10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole.
What is the SMILES notation for 10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole?
The canonical SMILES for 10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5c(-c6cccc7oc8ccccc8c67)cccc5c5ccc6ccccc6c54)n3)cc2)cc1.
What is the InChIKey of 10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole?
The InChIKey is IMNOZTANHPPICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O/c1-2-12-33(13-3-1)35-24-27-37(28-25-35)51-54-52(39-29-26-34-14-4-5-16-38(34)32-39)56-53(55-51)57-49-40-17-7-6-15-36(40)30-31-44(49)43-21-10-20-42(50(43)57)41-19-11-23-47-48(41)45-18-8-9-22-46(45)58-47/h1-32H.
What are the key properties of 10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole?
10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]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 10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole is sourced from PubChem (CID 142569857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).