1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline

C156H96N12O3 — CID 160700548

IUPAC1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc6nc(-c7cccc8ccccc78)c7c8ccccc8oc7c56)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6nc(-c7cccc8ccccc78)c7c8ccccc8oc7c56)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5nc(-c6cccc7ccccc67)c6c7ccccc7oc6c45)cc3)n2)cc1
InChIInChI=1S/C58H36N4O.C52H32N4O.C46H28N4O/c1-3-13-37(14-4-1)39-25-31-43(32-26-39)56-60-57(44-33-27-40(28-34-44)38-15-5-2-6-16-38)62-58(61-56)45-35-29-42(30-36-45)47-21-12-23-50-52(47)55-53(49-20-9-10-24-51(49)63-55)54(59-50)48-22-11-18-41-17-7-8-19-46(41)48;1-3-13-33(14-4-1)34-25-29-38(30-26-34)51-54-50(37-16-5-2-6-17-37)55-52(56-51)39-31-27-36(28-32-39)41-21-12-23-44-46(41)49-47(43-20-9-10-24-45(43)57-49)48(53-44)42-22-11-18-35-15-7-8-19-40(35)42;1-3-14-31(15-4-1)44-48-45(32-16-5-2-6-17-32)50-46(49-44)33-27-25-30(26-28-33)35-21-12-23-38-40(35)43-41(37-20-9-10-24-39(37)51-43)42(47-38)36-22-11-18-29-13-7-8-19-34(29)36/h1-36H;1-32H;1-28H
InChIKeyRQOFHQOEHDTSLV-UHFFFAOYSA-N
MW2186.56 g/mol
LogP40.42
Rot. Bonds18

About 1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline

1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline (PubChem CID 160700548) has the molecular formula C156H96N12O3 and a molecular weight of 2186.56 g/mol. Its IUPAC name is 1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
PubChem CID160700548
Molecular FormulaC156H96N12O3
Molecular Weight2186.56 g/mol
Exact Mass2184.77
IUPAC Name1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc6nc(-c7cccc8ccccc78)c7c8ccccc8oc7c56)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6nc(-c7cccc8ccccc78)c7c8ccccc8oc7c56)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5nc(-c6cccc7ccccc67)c6c7ccccc7oc6c45)cc3)n2)cc1
InChIInChI=1S/C58H36N4O.C52H32N4O.C46H28N4O/c1-3-13-37(14-4-1)39-25-31-43(32-26-39)56-60-57(44-33-27-40(28-34-44)38-15-5-2-6-16-38)62-58(61-56)45-35-29-42(30-36-45)47-21-12-23-50-52(47)55-53(49-20-9-10-24-51(49)63-55)54(59-50)48-22-11-18-41-17-7-8-19-46(41)48;1-3-13-33(14-4-1)34-25-29-38(30-26-34)51-54-50(37-16-5-2-6-17-37)55-52(56-51)39-31-27-36(28-32-39)41-21-12-23-44-46(41)49-47(43-20-9-10-24-45(43)57-49)48(53-44)42-22-11-18-35-15-7-8-19-40(35)42;1-3-14-31(15-4-1)44-48-45(32-16-5-2-6-17-32)50-46(49-44)33-27-25-30(26-28-33)35-21-12-23-38-40(35)43-41(37-20-9-10-24-39(37)51-43)42(47-38)36-22-11-18-29-13-7-8-19-34(29)36/h1-36H;1-32H;1-28H
InChIKeyRQOFHQOEHDTSLV-UHFFFAOYSA-N
XLogP40.42
TPSA194.10 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms171
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002186.56
LogP ≤ 540.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline (CID 160700548) is 1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc6nc(-c7cccc8ccccc78)c7c8ccccc8oc7c56)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6nc(-c7cccc8ccccc78)c7c8ccccc8oc7c56)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5nc(-c6cccc7ccccc67)c6c7ccccc7oc6c45)cc3)n2)cc1.
What is the InChIKey of 1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The InChIKey is RQOFHQOEHDTSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4O.C52H32N4O.C46H28N4O/c1-3-13-37(14-4-1)39-25-31-43(32-26-39)56-60-57(44-33-27-40(28-34-44)38-15-5-2-6-16-38)62-58(61-56)45-35-29-42(30-36-45)47-21-12-23-50-52(47)55-53(49-20-9-10-24-51(49)63-55)54(59-50)48-22-11-18-41-17-7-8-19-46(41)48;1-3-13-33(14-4-1)34-25-29-38(30-26-34)51-54-50(37-16-5-2-6-17-37)55-52(56-51)39-31-27-36(28-32-39)41-21-12-23-44-46(41)49-47(43-20-9-10-24-45(43)57-49)48(53-44)42-22-11-18-35-15-7-8-19-40(35)42;1-3-14-31(15-4-1)44-48-45(32-16-5-2-6-17-32)50-46(49-44)33-27-25-30(26-28-33)35-21-12-23-38-40(35)43-41(37-20-9-10-24-39(37)51-43)42(47-38)36-22-11-18-29-13-7-8-19-34(29)36/h1-36H;1-32H;1-28H.
What are the key properties of 1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?
1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline has a molecular weight of 2186.56 g/mol, XLogP of 40.42, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 160700548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).