2,4-diphenyl-6-[11-[2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidin-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]-1,3,5-triazine

C70H43N5 — CID 165151435

About 2,4-diphenyl-6-[11-[2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidin-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]-1,3,5-triazine

2,4-diphenyl-6-[11-[2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidin-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]-1,3,5-triazine (PubChem CID 165151435) has the molecular formula C70H43N5 and a molecular weight of 954.15 g/mol. Its IUPAC name is 2,4-diphenyl-6-[11-[2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidin-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]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[11-[2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidin-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]-1,3,5-triazine
• PubChem CID: 165151435
• Molecular Formula: C70H43N5
• Molecular Weight: 954.15 g/mol
• Exact Mass: 953.35
• IUPAC Name: 2,4-diphenyl-6-[11-[2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidin-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]-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)n2)cc1
• InChI: InChI=1S/C70H43N5/c1-4-18-42(19-5-1)66-71-62(41-63(72-66)46-34-37-61-55(38-46)50-26-14-17-31-60(50)70(61)58-29-15-12-24-48(58)49-25-13-16-30-59(49)70)45-32-35-53-56(39-45)64-51-27-10-11-28-52(51)65(53)57-40-47(33-36-54(57)64)69-74-67(43-20-6-2-7-21-43)73-68(75-69)44-22-8-3-9-23-44/h1-41,64-65H
• InChIKey: FSCJHKLAIPBWQM-UHFFFAOYSA-N
• XLogP: 15.99
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	954.15
LogP ≤ 5	15.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[11-[2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidin-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]-1,3,5-triazine?

The IUPAC name of 2,4-diphenyl-6-[11-[2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidin-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]-1,3,5-triazine (CID 165151435) is 2,4-diphenyl-6-[11-[2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidin-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]-1,3,5-triazine.

What is the SMILES notation for 2,4-diphenyl-6-[11-[2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidin-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]-1,3,5-triazine?

The canonical SMILES for 2,4-diphenyl-6-[11-[2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidin-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]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-[11-[2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidin-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]-1,3,5-triazine?

The InChIKey is FSCJHKLAIPBWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43N5/c1-4-18-42(19-5-1)66-71-62(41-63(72-66)46-34-37-61-55(38-46)50-26-14-17-31-60(50)70(61)58-29-15-12-24-48(58)49-25-13-16-30-59(49)70)45-32-35-53-56(39-45)64-51-27-10-11-28-52(51)65(53)57-40-47(33-36-54(57)64)69-74-67(43-20-6-2-7-21-43)73-68(75-69)44-22-8-3-9-23-44/h1-41,64-65H.

What are the key properties of 2,4-diphenyl-6-[11-[2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidin-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]-1,3,5-triazine?

2,4-diphenyl-6-[11-[2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidin-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]-1,3,5-triazine has a molecular weight of 954.15 g/mol, XLogP of 15.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[11-[2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidin-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]-1,3,5-triazine is sourced from PubChem (CID 165151435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).