2-[11-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine

C70H45N5 — CID 165151481

About 2-[11-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine

2-[11-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 165151481) has the molecular formula C70H45N5 and a molecular weight of 956.17 g/mol. Its IUPAC name is 2-[11-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[11-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 165151481
• Molecular Formula: C70H45N5
• Molecular Weight: 956.17 g/mol
• Exact Mass: 955.37
• IUPAC Name: 2-[11-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1
• InChI: InChI=1S/C70H45N5/c1-6-20-44(21-7-1)66-71-62(43-63(72-66)48-34-37-53-52-30-18-19-33-60(52)70(61(53)42-48,50-26-12-4-13-27-50)51-28-14-5-15-29-51)47-35-38-56-58(40-47)64-54-31-16-17-32-55(54)65(56)59-41-49(36-39-57(59)64)69-74-67(45-22-8-2-9-23-45)73-68(75-69)46-24-10-3-11-25-46/h1-43,64-65H
• InChIKey: STVVPPMFSLZQEO-UHFFFAOYSA-N
• XLogP: 16.01
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	956.17
LogP ≤ 5	16.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[11-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[11-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine (CID 165151481) is 2-[11-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[11-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[11-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1.

What is the InChIKey of 2-[11-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is STVVPPMFSLZQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H45N5/c1-6-20-44(21-7-1)66-71-62(43-63(72-66)48-34-37-53-52-30-18-19-33-60(52)70(61(53)42-48,50-26-12-4-13-27-50)51-28-14-5-15-29-51)47-35-38-56-58(40-47)64-54-31-16-17-32-55(54)65(56)59-41-49(36-39-57(59)64)69-74-67(45-22-8-2-9-23-45)73-68(75-69)46-24-10-3-11-25-46/h1-43,64-65H.

What are the key properties of 2-[11-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine?

2-[11-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 956.17 g/mol, XLogP of 16.01, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[11-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 165151481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).