5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane

C62H44N4O — CID 142570201

IUPAC5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane
SMILESCCC.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5cc6ccccc6cc5c5cccc(-c6c7ccccc7cc7c6oc6ccccc67)c54)n3)cc2)cc1
InChIInChI=1S/C59H36N4O.C3H8/c1-3-14-37(15-4-1)39-26-30-41(31-27-39)57-60-58(42-32-28-40(29-33-42)38-16-5-2-6-17-38)62-59(61-57)63-52-36-44-19-8-7-18-43(44)34-50(52)48-23-13-24-49(55(48)63)54-46-21-10-9-20-45(46)35-51-47-22-11-12-25-53(47)64-56(51)54;1-3-2/h1-36H;3H2,1-2H3
InChIKeyKKZIFDYUGKAFSG-UHFFFAOYSA-N
MW861.06 g/mol
LogP16.93
Rot. Bonds6

About 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane

5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane (PubChem CID 142570201) has the molecular formula C62H44N4O and a molecular weight of 861.06 g/mol. Its IUPAC name is 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane.

Molecular Properties

Compound Name5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane
PubChem CID142570201
Molecular FormulaC62H44N4O
Molecular Weight861.06 g/mol
Exact Mass860.35
IUPAC Name5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane
SMILESCCC.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5cc6ccccc6cc5c5cccc(-c6c7ccccc7cc7c6oc6ccccc67)c54)n3)cc2)cc1
InChIInChI=1S/C59H36N4O.C3H8/c1-3-14-37(15-4-1)39-26-30-41(31-27-39)57-60-58(42-32-28-40(29-33-42)38-16-5-2-6-17-38)62-59(61-57)63-52-36-44-19-8-7-18-43(44)34-50(52)48-23-13-24-49(55(48)63)54-46-21-10-9-20-45(46)35-51-47-22-11-12-25-53(47)64-56(51)54;1-3-2/h1-36H;3H2,1-2H3
InChIKeyKKZIFDYUGKAFSG-UHFFFAOYSA-N
XLogP16.93
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.06
LogP ≤ 516.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane with MolForge

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Related Compounds

5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole
CID 142570024
7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole
CID 142571675
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
7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole
CID 142571759
4-dibenzofuran-2-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142571859
4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane
CID 142571046
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-8-ylbenzo[b]carbazole
CID 142569825
4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 142567912
4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
CID 142568556
4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142570342
4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane
CID 142569467
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

Frequently Asked Questions

What is the IUPAC name of 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane?
The IUPAC name of 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane (CID 142570201) is 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane.
What is the SMILES notation for 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane?
The canonical SMILES for 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane is CCC.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5cc6ccccc6cc5c5cccc(-c6c7ccccc7cc7c6oc6ccccc67)c54)n3)cc2)cc1.
What is the InChIKey of 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane?
The InChIKey is KKZIFDYUGKAFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4O.C3H8/c1-3-14-37(15-4-1)39-26-30-41(31-27-39)57-60-58(42-32-28-40(29-33-42)38-16-5-2-6-17-38)62-59(61-57)63-52-36-44-19-8-7-18-43(44)34-50(52)48-23-13-24-49(55(48)63)54-46-21-10-9-20-45(46)35-51-47-22-11-12-25-53(47)64-56(51)54;1-3-2/h1-36H;3H2,1-2H3.
What are the key properties of 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane?
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane has a molecular weight of 861.06 g/mol, XLogP of 16.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane is sourced from PubChem (CID 142570201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).