9-[3-[2-(7-methyl-9,9-dioctylfluoren-2-yl)pyrimidin-5-yl]-5-[2-[7-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-9,9-dioctylfluoren-2-yl]pyrimidin-5-yl]phenyl]carbazole

C96H107N7 — CID 118345689

About 9-[3-[2-(7-methyl-9,9-dioctylfluoren-2-yl)pyrimidin-5-yl]-5-[2-[7-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-9,9-dioctylfluoren-2-yl]pyrimidin-5-yl]phenyl]carbazole

9-[3-[2-(7-methyl-9,9-dioctylfluoren-2-yl)pyrimidin-5-yl]-5-[2-[7-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-9,9-dioctylfluoren-2-yl]pyrimidin-5-yl]phenyl]carbazole (PubChem CID 118345689) has the molecular formula C96H107N7 and a molecular weight of 1358.96 g/mol. Its IUPAC name is 9-[3-[2-(7-methyl-9,9-dioctylfluoren-2-yl)pyrimidin-5-yl]-5-[2-[7-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-9,9-dioctylfluoren-2-yl]pyrimidin-5-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[2-(7-methyl-9,9-dioctylfluoren-2-yl)pyrimidin-5-yl]-5-[2-[7-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-9,9-dioctylfluoren-2-yl]pyrimidin-5-yl]phenyl]carbazole
• PubChem CID: 118345689
• Molecular Formula: C96H107N7
• Molecular Weight: 1358.96 g/mol
• Exact Mass: 1357.86
• IUPAC Name: 9-[3-[2-(7-methyl-9,9-dioctylfluoren-2-yl)pyrimidin-5-yl]-5-[2-[7-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-9,9-dioctylfluoren-2-yl]pyrimidin-5-yl]phenyl]carbazole
• SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ncc(-c4cc(-c5cnc(-c6ccc7c(c6)C(CCCCCCCC)(CCCCCCCC)c6cc(-c8ccc(-c9ccc(C)cn9)nc8)ccc6-7)nc5)cc(-n5c6ccccc6c6ccccc65)c4)cn3)cc21
• InChI: InChI=1S/C96H107N7/c1-7-11-15-19-23-31-51-95(52-32-24-20-16-12-8-2)85-55-68(5)39-45-79(85)81-47-42-71(60-87(81)95)93-99-64-76(65-100-93)74-56-75(58-78(57-74)103-91-37-29-27-35-83(91)84-36-28-30-38-92(84)103)77-66-101-94(102-67-77)72-43-48-82-80-46-41-70(73-44-50-90(98-63-73)89-49-40-69(6)62-97-89)59-86(80)96(88(82)61-72,53-33-25-21-17-13-9-3)54-34-26-22-18-14-10-4/h27-30,35-50,55-67H,7-26,31-34,51-54H2,1-6H3
• InChIKey: FIZKZHLTHUZOHF-UHFFFAOYSA-N
• XLogP: 27.31
• TPSA: 82.27 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 35
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1358.96
LogP ≤ 5	27.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-(7-methyl-9,9-dioctylfluoren-2-yl)pyrimidin-5-yl]-5-[2-[7-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-9,9-dioctylfluoren-2-yl]pyrimidin-5-yl]phenyl]carbazole?

The IUPAC name of 9-[3-[2-(7-methyl-9,9-dioctylfluoren-2-yl)pyrimidin-5-yl]-5-[2-[7-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-9,9-dioctylfluoren-2-yl]pyrimidin-5-yl]phenyl]carbazole (CID 118345689) is 9-[3-[2-(7-methyl-9,9-dioctylfluoren-2-yl)pyrimidin-5-yl]-5-[2-[7-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-9,9-dioctylfluoren-2-yl]pyrimidin-5-yl]phenyl]carbazole.

What is the SMILES notation for 9-[3-[2-(7-methyl-9,9-dioctylfluoren-2-yl)pyrimidin-5-yl]-5-[2-[7-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-9,9-dioctylfluoren-2-yl]pyrimidin-5-yl]phenyl]carbazole?

The canonical SMILES for 9-[3-[2-(7-methyl-9,9-dioctylfluoren-2-yl)pyrimidin-5-yl]-5-[2-[7-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-9,9-dioctylfluoren-2-yl]pyrimidin-5-yl]phenyl]carbazole is CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ncc(-c4cc(-c5cnc(-c6ccc7c(c6)C(CCCCCCCC)(CCCCCCCC)c6cc(-c8ccc(-c9ccc(C)cn9)nc8)ccc6-7)nc5)cc(-n5c6ccccc6c6ccccc65)c4)cn3)cc21.

What is the InChIKey of 9-[3-[2-(7-methyl-9,9-dioctylfluoren-2-yl)pyrimidin-5-yl]-5-[2-[7-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-9,9-dioctylfluoren-2-yl]pyrimidin-5-yl]phenyl]carbazole?

The InChIKey is FIZKZHLTHUZOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H107N7/c1-7-11-15-19-23-31-51-95(52-32-24-20-16-12-8-2)85-55-68(5)39-45-79(85)81-47-42-71(60-87(81)95)93-99-64-76(65-100-93)74-56-75(58-78(57-74)103-91-37-29-27-35-83(91)84-36-28-30-38-92(84)103)77-66-101-94(102-67-77)72-43-48-82-80-46-41-70(73-44-50-90(98-63-73)89-49-40-69(6)62-97-89)59-86(80)96(88(82)61-72,53-33-25-21-17-13-9-3)54-34-26-22-18-14-10-4/h27-30,35-50,55-67H,7-26,31-34,51-54H2,1-6H3.

What are the key properties of 9-[3-[2-(7-methyl-9,9-dioctylfluoren-2-yl)pyrimidin-5-yl]-5-[2-[7-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-9,9-dioctylfluoren-2-yl]pyrimidin-5-yl]phenyl]carbazole?

9-[3-[2-(7-methyl-9,9-dioctylfluoren-2-yl)pyrimidin-5-yl]-5-[2-[7-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-9,9-dioctylfluoren-2-yl]pyrimidin-5-yl]phenyl]carbazole has a molecular weight of 1358.96 g/mol, XLogP of 27.31, 35 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[2-(7-methyl-9,9-dioctylfluoren-2-yl)pyrimidin-5-yl]-5-[2-[7-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-9,9-dioctylfluoren-2-yl]pyrimidin-5-yl]phenyl]carbazole is sourced from PubChem (CID 118345689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).