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

C57H34N4O — CID 142571759

IUPAC7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccc6ccccc6c5c5cccc(-c6c7ccccc7cc7c6oc6ccccc67)c54)n3)cc2)cc1
InChIInChI=1S/C57H34N4O/c1-2-13-35(14-3-1)37-25-28-39(29-26-37)55-58-56(42-30-27-36-15-4-5-17-40(36)33-42)60-57(59-55)61-49-32-31-38-16-6-8-19-43(38)51(49)46-22-12-23-47(53(46)61)52-44-20-9-7-18-41(44)34-48-45-21-10-11-24-50(45)62-54(48)52/h1-34H
InChIKeyMIZCSSMTGFGZRH-UHFFFAOYSA-N
MW790.93 g/mol
LogP15.00
Rot. Bonds5

About 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

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 (PubChem CID 142571759) has the molecular formula C57H34N4O and a molecular weight of 790.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole
PubChem CID142571759
Molecular FormulaC57H34N4O
Molecular Weight790.93 g/mol
Exact Mass790.27
IUPAC Name7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccc6ccccc6c5c5cccc(-c6c7ccccc7cc7c6oc6ccccc67)c54)n3)cc2)cc1
InChIInChI=1S/C57H34N4O/c1-2-13-35(14-3-1)37-25-28-39(29-26-37)55-58-56(42-30-27-36-15-4-5-17-40(36)33-42)60-57(59-55)61-49-32-31-38-16-6-8-19-43(38)51(49)46-22-12-23-47(53(46)61)52-44-20-9-7-18-41(44)34-48-45-21-10-11-24-50(45)62-54(48)52/h1-34H
InChIKeyMIZCSSMTGFGZRH-UHFFFAOYSA-N
XLogP15.00
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.93
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
8-dibenzofuran-1-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane
CID 142571739
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
8-dibenzofuran-2-yl-7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142571784
8-dibenzofuran-2-yl-7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570296
4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane
CID 142571046
7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzofuran-10-ylbenzo[c]carbazole
CID 142571239
7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole
CID 155485233
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166915499
2,4-dinaphthalen-2-yl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 170212995

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccc6ccccc6c5c5cccc(-c6c7ccccc7cc7c6oc6ccccc67)c54)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is MIZCSSMTGFGZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O/c1-2-13-35(14-3-1)37-25-28-39(29-26-37)55-58-56(42-30-27-36-15-4-5-17-40(36)33-42)60-57(59-55)61-49-32-31-38-16-6-8-19-43(38)51(49)46-22-12-23-47(53(46)61)52-44-20-9-7-18-41(44)34-48-45-21-10-11-24-50(45)62-54(48)52/h1-34H.
What are the key properties of 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?
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 has a molecular weight of 790.93 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142571759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).