7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole

C57H38N4 — CID 137214902

IUPAC7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
SMILESc1ccc(C2=NC(c3ccc(-n4c5ccccc5c5c6cc(-c7ccc8cc(-c9cccc%10ccccc9%10)ccc8c7)ccc6ccc54)cc3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C57H38N4/c1-3-13-39(14-4-1)55-58-56(40-15-5-2-6-16-40)60-57(59-55)41-28-31-47(32-29-41)61-52-21-10-9-19-50(52)54-51-36-45(23-22-38(51)30-33-53(54)61)43-24-25-44-35-46(27-26-42(44)34-43)49-20-11-17-37-12-7-8-18-48(37)49/h1-36,55H,(H,58,59,60)
InChIKeyXPBJFQORUBQXIX-UHFFFAOYSA-N
MW778.96 g/mol
LogP14.07
Rot. Bonds6

About 7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole

7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole (PubChem CID 137214902) has the molecular formula C57H38N4 and a molecular weight of 778.96 g/mol. Its IUPAC name is 7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
PubChem CID137214902
Molecular FormulaC57H38N4
Molecular Weight778.96 g/mol
Exact Mass778.31
IUPAC Name7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
SMILESc1ccc(C2=NC(c3ccc(-n4c5ccccc5c5c6cc(-c7ccc8cc(-c9cccc%10ccccc9%10)ccc8c7)ccc6ccc54)cc3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C57H38N4/c1-3-13-39(14-4-1)55-58-56(40-15-5-2-6-16-40)60-57(59-55)41-28-31-47(32-29-41)61-52-21-10-9-19-50(52)54-51-36-45(23-22-38(51)30-33-53(54)61)43-24-25-44-35-46(27-26-42(44)34-43)49-20-11-17-37-12-7-8-18-48(37)49/h1-36,55H,(H,58,59,60)
InChIKeyXPBJFQORUBQXIX-UHFFFAOYSA-N
XLogP14.07
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 514.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214911
12-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167032341
9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-naphthalen-2-yl-6-(3-phenanthren-9-ylphenyl)carbazole
CID 137213155
7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole
CID 137214887
12-[2-[4-[2-phenyl-4-(6-phenylnaphthalen-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167032343
7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214923
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-phenanthren-2-yl-5,6-dihydrobenzo[c]carbazole
CID 137214915
2-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351342
7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 137214924
3-[9-[9-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137218561
3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137198394

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole?
The IUPAC name of 7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole (CID 137214902) is 7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole.
What is the SMILES notation for 7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole?
The canonical SMILES for 7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole is c1ccc(C2=NC(c3ccc(-n4c5ccccc5c5c6cc(-c7ccc8cc(-c9cccc%10ccccc9%10)ccc8c7)ccc6ccc54)cc3)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole?
The InChIKey is XPBJFQORUBQXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N4/c1-3-13-39(14-4-1)55-58-56(40-15-5-2-6-16-40)60-57(59-55)41-28-31-47(32-29-41)61-52-21-10-9-19-50(52)54-51-36-45(23-22-38(51)30-33-53(54)61)43-24-25-44-35-46(27-26-42(44)34-43)49-20-11-17-37-12-7-8-18-48(37)49/h1-36,55H,(H,58,59,60).
What are the key properties of 7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole?
7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole has a molecular weight of 778.96 g/mol, XLogP of 14.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole is sourced from PubChem (CID 137214902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).