11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane

C58H42N4O — CID 142569985

IUPAC11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane
SMILESCCC.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5c(-c6ccc7oc8ccccc8c7c6)cccc5c5ccc6ccccc6c54)n3)cc2)cc1
InChIInChI=1S/C55H34N4O.C3H8/c1-3-12-35(13-4-1)37-22-26-40(27-23-37)53-56-54(41-28-24-38(25-29-41)36-14-5-2-6-15-36)58-55(57-53)59-51-43-17-8-7-16-39(43)30-32-47(51)46-20-11-19-44(52(46)59)42-31-33-50-48(34-42)45-18-9-10-21-49(45)60-50;1-3-2/h1-34H;3H2,1-2H3
InChIKeySTMILMRFMPCKGH-UHFFFAOYSA-N
MW811.00 g/mol
LogP15.77
Rot. Bonds6

About 11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane

11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane (PubChem CID 142569985) has the molecular formula C58H42N4O and a molecular weight of 811.00 g/mol. Its IUPAC name is 11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane.

Molecular Properties

Compound Name11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane
PubChem CID142569985
Molecular FormulaC58H42N4O
Molecular Weight811.00 g/mol
Exact Mass810.34
IUPAC Name11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane
SMILESCCC.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5c(-c6ccc7oc8ccccc8c7c6)cccc5c5ccc6ccccc6c54)n3)cc2)cc1
InChIInChI=1S/C55H34N4O.C3H8/c1-3-12-35(13-4-1)37-22-26-40(27-23-37)53-56-54(41-28-24-38(25-29-41)36-14-5-2-6-15-36)58-55(57-53)59-51-43-17-8-7-16-39(43)30-32-47(51)46-20-11-19-44(52(46)59)42-31-33-50-48(34-42)45-18-9-10-21-49(45)60-50;1-3-2/h1-34H;3H2,1-2H3
InChIKeySTMILMRFMPCKGH-UHFFFAOYSA-N
XLogP15.77
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.00
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane with MolForge

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Related Compounds

19-dibenzofuran-2-yl-21-[4-phenyl-6-(4-phenylphenyl)-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;propane
CID 142570570
4-dibenzofuran-2-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142571859
10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568833
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole
CID 167309895
10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
CID 142569857
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole
CID 142569486
8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane
CID 142569627
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane
CID 142571552
4-dibenzofuran-2-yl-5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;propane
CID 142570608
1-(8-phenyldibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309700
ethane;4-naphtho[2,1-b][1]benzofuran-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142570080
19-dibenzofuran-3-yl-21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-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;propane
CID 142570998

Frequently Asked Questions

What is the IUPAC name of 11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane?
The IUPAC name of 11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane (CID 142569985) is 11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane.
What is the SMILES notation for 11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane?
The canonical SMILES for 11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane is CCC.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5c(-c6ccc7oc8ccccc8c7c6)cccc5c5ccc6ccccc6c54)n3)cc2)cc1.
What is the InChIKey of 11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane?
The InChIKey is STMILMRFMPCKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4O.C3H8/c1-3-12-35(13-4-1)37-22-26-40(27-23-37)53-56-54(41-28-24-38(25-29-41)36-14-5-2-6-15-36)58-55(57-53)59-51-43-17-8-7-16-39(43)30-32-47(51)46-20-11-19-44(52(46)59)42-31-33-50-48(34-42)45-18-9-10-21-49(45)60-50;1-3-2/h1-34H;3H2,1-2H3.
What are the key properties of 11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane?
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane has a molecular weight of 811.00 g/mol, XLogP of 15.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane is sourced from PubChem (CID 142569985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).