3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine

C104H74N10 — CID 164989703

About 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine

3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine (PubChem CID 164989703) has the molecular formula C104H74N10 and a molecular weight of 1463.81 g/mol. Its IUPAC name is 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine.

Molecular Properties

• Compound Name: 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine
• PubChem CID: 164989703
• Molecular Formula: C104H74N10
• Molecular Weight: 1463.81 g/mol
• Exact Mass: 1462.61
• IUPAC Name: 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5cncc(-c6ccncc6)c5)c4)cc(-c4cccc(-c5cncc(-c6ccncc6)c5)c4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5cncc(-c6cncnc6)c5)c4)cc(-c4cccc(-c5cncc(-c6cncnc6)c5)c4)c3)cc21
• InChI: InChI=1S/C53H38N4.C51H36N6/c1-53(2)51-12-4-3-11-49(51)50-14-13-41(30-52(50)53)44-26-42(37-7-5-9-39(23-37)47-28-45(31-56-33-47)35-15-19-54-20-16-35)25-43(27-44)38-8-6-10-40(24-38)48-29-46(32-57-34-48)36-17-21-55-22-18-36;1-51(2)49-12-4-3-11-47(49)48-14-13-37(22-50(48)51)40-18-38(33-7-5-9-35(15-33)41-20-43(25-52-23-41)45-27-54-31-55-28-45)17-39(19-40)34-8-6-10-36(16-34)42-21-44(26-53-24-42)46-29-56-32-57-30-46/h3-34H,1-2H3;3-32H,1-2H3
• InChIKey: GRGMVGHUYWNTGU-UHFFFAOYSA-N
• XLogP: 25.27
• TPSA: 128.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1463.81
LogP ≤ 5	25.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine?

The IUPAC name of 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine (CID 164989703) is 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine.

What is the SMILES notation for 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine?

The canonical SMILES for 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5cncc(-c6ccncc6)c5)c4)cc(-c4cccc(-c5cncc(-c6ccncc6)c5)c4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5cncc(-c6cncnc6)c5)c4)cc(-c4cccc(-c5cncc(-c6cncnc6)c5)c4)c3)cc21.

What is the InChIKey of 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine?

The InChIKey is GRGMVGHUYWNTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N4.C51H36N6/c1-53(2)51-12-4-3-11-49(51)50-14-13-41(30-52(50)53)44-26-42(37-7-5-9-39(23-37)47-28-45(31-56-33-47)35-15-19-54-20-16-35)25-43(27-44)38-8-6-10-40(24-38)48-29-46(32-57-34-48)36-17-21-55-22-18-36;1-51(2)49-12-4-3-11-47(49)48-14-13-37(22-50(48)51)40-18-38(33-7-5-9-35(15-33)41-20-43(25-52-23-41)45-27-54-31-55-28-45)17-39(19-40)34-8-6-10-36(16-34)42-21-44(26-53-24-42)46-29-56-32-57-30-46/h3-34H,1-2H3;3-32H,1-2H3.

What are the key properties of 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine?

3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine has a molecular weight of 1463.81 g/mol, XLogP of 25.27, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine is sourced from PubChem (CID 164989703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).