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

C57H36N4 — CID 130351461

IUPAC7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6ccc(-c7ccc8cc(-c9cccc%10ccccc9%10)ccc8c7)cc6ccc54)cc3)n2)cc1
InChIInChI=1S/C57H36N4/c1-3-13-38(14-4-1)55-58-56(39-15-5-2-6-16-39)60-57(59-55)40-26-30-47(31-27-40)61-52-21-10-9-19-51(52)54-50-32-28-44(36-46(50)29-33-53(54)61)41-22-23-43-35-45(25-24-42(43)34-41)49-20-11-17-37-12-7-8-18-48(37)49/h1-36H
InChIKeyDLXZEIAWJSYPOT-UHFFFAOYSA-N
MW776.94 g/mol
LogP14.76
Rot. Bonds6

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

7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole (PubChem CID 130351461) has the molecular formula C57H36N4 and a molecular weight of 776.94 g/mol. Its IUPAC name is 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
PubChem CID130351461
Molecular FormulaC57H36N4
Molecular Weight776.94 g/mol
Exact Mass776.29
IUPAC Name7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6ccc(-c7ccc8cc(-c9cccc%10ccccc9%10)ccc8c7)cc6ccc54)cc3)n2)cc1
InChIInChI=1S/C57H36N4/c1-3-13-38(14-4-1)55-58-56(39-15-5-2-6-16-39)60-57(59-55)40-26-30-47(31-27-40)61-52-21-10-9-19-51(52)54-50-32-28-44(36-46(50)29-33-53(54)61)41-22-23-43-35-45(25-24-42(43)34-41)49-20-11-17-37-12-7-8-18-48(37)49/h1-36H
InChIKeyDLXZEIAWJSYPOT-UHFFFAOYSA-N
XLogP14.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.94
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(7-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351208
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351343
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenanthren-3-ylbenzo[c]carbazole
CID 131979639
9-naphthalen-1-yl-7-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole
CID 167031844
7-[4-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166916612
2-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351342
7-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole;7-(2,6-diphenylpyrimidin-4-yl)-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 159963707
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole
CID 130351579
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole;9-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 159765258
12-[4-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-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 166915621
7-naphthalen-2-yl-2-(7-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351413
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 130351139

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole?
The IUPAC name of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole (CID 130351461) is 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole.
What is the SMILES notation for 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole?
The canonical SMILES for 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6ccc(-c7ccc8cc(-c9cccc%10ccccc9%10)ccc8c7)cc6ccc54)cc3)n2)cc1.
What is the InChIKey of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole?
The InChIKey is DLXZEIAWJSYPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4/c1-3-13-38(14-4-1)55-58-56(39-15-5-2-6-16-39)60-57(59-55)40-26-30-47(31-27-40)61-52-21-10-9-19-51(52)54-50-32-28-44(36-46(50)29-33-53(54)61)41-22-23-43-35-45(25-24-42(43)34-41)49-20-11-17-37-12-7-8-18-48(37)49/h1-36H.
What are the key properties of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole?
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole has a molecular weight of 776.94 g/mol, XLogP of 14.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole is sourced from PubChem (CID 130351461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).