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

C59H40N4O — CID 142570407

IUPACethane;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
SMILESCC.c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5c(-c6cccc7c6oc6ccc8ccccc8c67)cccc5c5ccc6ccccc6c54)n3)cc2)cc1
InChIInChI=1S/C57H34N4O.C2H6/c1-2-12-35(13-3-1)37-24-27-40(28-25-37)55-58-56(42-29-26-36-14-4-5-17-41(36)34-42)60-57(59-55)61-52-44-19-9-7-16-39(44)30-32-47(52)45-20-10-21-46(53(45)61)48-22-11-23-49-51-43-18-8-6-15-38(43)31-33-50(51)62-54(48)49;1-2/h1-34H;1-2H3
InChIKeyVHZFEMSDFYVZFK-UHFFFAOYSA-N
MW821.00 g/mol
LogP16.02
Rot. Bonds5

About 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

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 (PubChem CID 142570407) has the molecular formula C59H40N4O and a molecular weight of 821.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;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
PubChem CID142570407
Molecular FormulaC59H40N4O
Molecular Weight821.00 g/mol
Exact Mass820.32
IUPAC Nameethane;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
SMILESCC.c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5c(-c6cccc7c6oc6ccc8ccccc8c67)cccc5c5ccc6ccccc6c54)n3)cc2)cc1
InChIInChI=1S/C57H34N4O.C2H6/c1-2-12-35(13-3-1)37-24-27-40(28-25-37)55-58-56(42-29-26-36-14-4-5-17-41(36)34-42)60-57(59-55)61-52-44-19-9-7-16-39(44)30-32-47(52)45-20-10-21-46(53(45)61)48-22-11-23-49-51-43-18-8-6-15-38(43)31-33-50(51)62-54(48)49;1-2/h1-34H;1-2H3
InChIKeyVHZFEMSDFYVZFK-UHFFFAOYSA-N
XLogP16.02
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.00
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
CID 142569857
11-(4,6-diphenylpyrimidin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole
CID 142571640
ethane;9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole
CID 142571463
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
4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane
CID 142571046
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
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane
CID 142569985
12-[8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-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 155382795
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane
CID 142571694
12-[8-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155382762

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5c(-c6cccc7c6oc6ccc8ccccc8c67)cccc5c5ccc6ccccc6c54)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is VHZFEMSDFYVZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O.C2H6/c1-2-12-35(13-3-1)37-24-27-40(28-25-37)55-58-56(42-29-26-36-14-4-5-17-41(36)34-42)60-57(59-55)61-52-44-19-9-7-16-39(44)30-32-47(52)45-20-10-21-46(53(45)61)48-22-11-23-49-51-43-18-8-6-15-38(43)31-33-50(51)62-54(48)49;1-2/h1-34H;1-2H3.
What are the key properties of 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?
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 has a molecular weight of 821.00 g/mol, XLogP of 16.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142570407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).