6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

C138H84N12O3 — CID 167604779

IUPAC6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6ccccc6c5)c5oc6cc7ncccc7cc6c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc(-c5ccc6ccccc6c5)c5oc6cc7ccccc7cc6c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ncc(-c5ccc6ccccc6c5)c5oc6cc7ccccc7cc6c45)cc3)n2)cc1
InChIInChI=1S/3C46H28N4O/c1-3-12-31(13-4-1)44-48-45(32-14-5-2-6-15-32)50-46(49-44)33-22-20-30(21-23-33)42-41-38-26-35-17-9-10-18-36(35)27-40(38)51-43(41)39(28-47-42)37-24-19-29-11-7-8-16-34(29)25-37;1-3-12-31(13-4-1)44-48-45(32-14-5-2-6-15-32)50-46(49-44)33-22-20-30(21-23-33)39-28-47-42(37-24-19-29-11-7-8-16-34(29)25-37)43-41(39)38-26-35-17-9-10-18-36(35)27-40(38)51-43;1-3-11-31(12-4-1)44-48-45(32-13-5-2-6-14-32)50-46(49-44)33-20-18-30(19-21-33)37-23-24-38(35-22-17-29-10-7-8-15-34(29)26-35)43-42(37)39-27-36-16-9-25-47-40(36)28-41(39)51-43/h3*1-28H
InChIKeyKFQWRTKNEYDGOU-UHFFFAOYSA-N
MW1958.27 g/mol
LogP35.42
Rot. Bonds15

About 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (PubChem CID 167604779) has the molecular formula C138H84N12O3 and a molecular weight of 1958.27 g/mol. Its IUPAC name is 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.

Molecular Properties

Compound Name6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
PubChem CID167604779
Molecular FormulaC138H84N12O3
Molecular Weight1958.27 g/mol
Exact Mass1956.68
IUPAC Name6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6ccccc6c5)c5oc6cc7ncccc7cc6c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc(-c5ccc6ccccc6c5)c5oc6cc7ccccc7cc6c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ncc(-c5ccc6ccccc6c5)c5oc6cc7ccccc7cc6c45)cc3)n2)cc1
InChIInChI=1S/3C46H28N4O/c1-3-12-31(13-4-1)44-48-45(32-14-5-2-6-15-32)50-46(49-44)33-22-20-30(21-23-33)42-41-38-26-35-17-9-10-18-36(35)27-40(38)51-43(41)39(28-47-42)37-24-19-29-11-7-8-16-34(29)25-37;1-3-12-31(13-4-1)44-48-45(32-14-5-2-6-15-32)50-46(49-44)33-22-20-30(21-23-33)39-28-47-42(37-24-19-29-11-7-8-16-34(29)25-37)43-41(39)38-26-35-17-9-10-18-36(35)27-40(38)51-43;1-3-11-31(12-4-1)44-48-45(32-13-5-2-6-14-32)50-46(49-44)33-20-18-30(19-21-33)37-23-24-38(35-22-17-29-10-7-8-15-34(29)26-35)43-42(37)39-27-36-16-9-25-47-40(36)28-41(39)51-43/h3*1-28H
InChIKeyKFQWRTKNEYDGOU-UHFFFAOYSA-N
XLogP35.42
TPSA194.10 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001958.27
LogP ≤ 535.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline
CID 166502443
2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)phenyl]-1,3,5-triazine
CID 166867460
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-(4-phenylphenyl)-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 159089433
2-naphthalen-2-yl-4-phenyl-6-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 174245007
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-[1]benzofuro[3,2-g]isoquinoline;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenylphenyl)-[1]benzofuro[2,3-g]isoquinoline;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenylphenyl)-[1]benzofuro[2,3-g]quinoline
CID 167616003
6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-b]quinoline;10-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-g]quinoline;12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 167554324
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline
CID 166502562
2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 165026780
2-dibenzofuran-2-yl-4-[4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164969242
6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline
CID 166502770
2-phenyl-4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165043590
2-(3,5-diphenylphenyl)-4-naphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 171754779

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The IUPAC name of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (CID 167604779) is 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.
What is the SMILES notation for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The canonical SMILES for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6ccccc6c5)c5oc6cc7ncccc7cc6c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc(-c5ccc6ccccc6c5)c5oc6cc7ccccc7cc6c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ncc(-c5ccc6ccccc6c5)c5oc6cc7ccccc7cc6c45)cc3)n2)cc1.
What is the InChIKey of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The InChIKey is KFQWRTKNEYDGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C46H28N4O/c1-3-12-31(13-4-1)44-48-45(32-14-5-2-6-15-32)50-46(49-44)33-22-20-30(21-23-33)42-41-38-26-35-17-9-10-18-36(35)27-40(38)51-43(41)39(28-47-42)37-24-19-29-11-7-8-16-34(29)25-37;1-3-12-31(13-4-1)44-48-45(32-14-5-2-6-15-32)50-46(49-44)33-22-20-30(21-23-33)39-28-47-42(37-24-19-29-11-7-8-16-34(29)25-37)43-41(39)38-26-35-17-9-10-18-36(35)27-40(38)51-43;1-3-11-31(12-4-1)44-48-45(32-13-5-2-6-14-32)50-46(49-44)33-20-18-30(19-21-33)37-23-24-38(35-22-17-29-10-7-8-15-34(29)26-35)43-42(37)39-27-36-16-9-25-47-40(36)28-41(39)51-43/h3*1-28H.
What are the key properties of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene has a molecular weight of 1958.27 g/mol, XLogP of 35.42, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is sourced from PubChem (CID 167604779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).