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

C57H34N4O — CID 142570633

IUPAC11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-naphtho[2,3-b][1]benzofuran-6-ylbenzo[a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5c(-c6c7ccccc7cc7c6oc6ccccc67)cccc5c5ccc6ccccc6c54)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)61-52-44-20-9-6-16-38(44)31-32-47(52)46-22-12-23-48(53(46)61)51-43-19-8-7-18-41(43)34-49-45-21-10-11-24-50(45)62-54(49)51/h1-34H
InChIKeyYQLQFQZEKQXBKQ-UHFFFAOYSA-N
MW790.93 g/mol
LogP15.00
Rot. Bonds5

About 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

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 (PubChem CID 142570633) has the molecular formula C57H34N4O and a molecular weight of 790.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-naphtho[2,3-b][1]benzofuran-6-ylbenzo[a]carbazole
PubChem CID142570633
Molecular FormulaC57H34N4O
Molecular Weight790.93 g/mol
Exact Mass790.27
IUPAC Name11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-naphtho[2,3-b][1]benzofuran-6-ylbenzo[a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5c(-c6c7ccccc7cc7c6oc6ccccc67)cccc5c5ccc6ccccc6c54)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)61-52-44-20-9-6-16-38(44)31-32-47(52)46-22-12-23-48(53(46)61)51-43-19-8-7-18-41(43)34-49-45-21-10-11-24-50(45)62-54(49)51/h1-34H
InChIKeyYQLQFQZEKQXBKQ-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-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
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
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
10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
CID 142569857
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
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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane
CID 142569985
4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane
CID 142571046
12-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-phenylnaphthalen-1-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 155450699
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
2-naphthalen-2-yl-4-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 170213203
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 164757797

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5c(-c6c7ccccc7cc7c6oc6ccccc67)cccc5c5ccc6ccccc6c54)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is YQLQFQZEKQXBKQ-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)61-52-44-20-9-6-16-38(44)31-32-47(52)46-22-12-23-48(53(46)61)51-43-19-8-7-18-41(43)34-49-45-21-10-11-24-50(45)62-54(49)51/h1-34H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 142570633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).