2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine

C138H93N9O3 — CID 158811090

About 2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine

2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 158811090) has the molecular formula C138H93N9O3 and a molecular weight of 1925.32 g/mol. Its IUPAC name is 2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
• PubChem CID: 158811090
• Molecular Formula: C138H93N9O3
• Molecular Weight: 1925.32 g/mol
• Exact Mass: 1923.74
• IUPAC Name: 2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
• SMILES: CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6ccccc6c5)cc4)n3)ccc2-c2c1ccc1c2oc2ccccc21.CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6ccccc6c5)cc4)n3)ccc2-c2c1ccc1oc3ccccc3c21.CC1(C)c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6ccccc6c5)cc4)n3)c2-c2c1ccc1c2oc2ccccc21
• InChI: InChI=1S/3C46H31N3O/c1-46(2)37-17-10-16-36(40(37)41-38(46)26-25-35-34-15-8-9-18-39(34)50-42(35)41)45-48-43(30-12-4-3-5-13-30)47-44(49-45)31-22-19-29(20-23-31)33-24-21-28-11-6-7-14-32(28)27-33;1-46(2)37-24-25-40-42(36-14-8-9-15-39(36)50-40)41(37)35-23-22-34(27-38(35)46)45-48-43(30-11-4-3-5-12-30)47-44(49-45)31-19-16-29(17-20-31)33-21-18-28-10-6-7-13-32(28)26-33;1-46(2)38-25-24-36-35-14-8-9-15-40(35)50-42(36)41(38)37-23-22-34(27-39(37)46)45-48-43(30-11-4-3-5-12-30)47-44(49-45)31-19-16-29(17-20-31)33-21-18-28-10-6-7-13-32(28)26-33/h3*3-27H,1-2H3
• InChIKey: IURRRSKYBWDHME-UHFFFAOYSA-N
• XLogP: 35.70
• TPSA: 155.43 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1925.32
LogP ≤ 5	35.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine (CID 158811090) is 2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine is CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6ccccc6c5)cc4)n3)ccc2-c2c1ccc1c2oc2ccccc21.CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6ccccc6c5)cc4)n3)ccc2-c2c1ccc1oc3ccccc3c21.CC1(C)c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6ccccc6c5)cc4)n3)c2-c2c1ccc1c2oc2ccccc21.

What is the InChIKey of 2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine?

The InChIKey is IURRRSKYBWDHME-UHFFFAOYSA-N. The full InChI is InChI=1S/3C46H31N3O/c1-46(2)37-17-10-16-36(40(37)41-38(46)26-25-35-34-15-8-9-18-39(34)50-42(35)41)45-48-43(30-12-4-3-5-13-30)47-44(49-45)31-22-19-29(20-23-31)33-24-21-28-11-6-7-14-32(28)27-33;1-46(2)37-24-25-40-42(36-14-8-9-15-39(36)50-40)41(37)35-23-22-34(27-38(35)46)45-48-43(30-11-4-3-5-12-30)47-44(49-45)31-19-16-29(17-20-31)33-21-18-28-10-6-7-13-32(28)26-33;1-46(2)38-25-24-36-35-14-8-9-15-40(35)50-42(36)41(38)37-23-22-34(27-39(37)46)45-48-43(30-11-4-3-5-12-30)47-44(49-45)31-19-16-29(17-20-31)33-21-18-28-10-6-7-13-32(28)26-33/h3*3-27H,1-2H3.

What are the key properties of 2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine?

2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 1925.32 g/mol, XLogP of 35.70, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 158811090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).