8-[6-[7-[4-[9,9-dimethyl-7-(6-quinolin-8-yl-2-pyridinyl)fluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]quinoline

C64H46N4 — CID 58881286

About 8-[6-[7-[4-[9,9-dimethyl-7-(6-quinolin-8-yl-2-pyridinyl)fluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]quinoline

8-[6-[7-[4-[9,9-dimethyl-7-(6-quinolin-8-yl-2-pyridinyl)fluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]quinoline (PubChem CID 58881286) has the molecular formula C64H46N4 and a molecular weight of 871.10 g/mol. Its IUPAC name is 8-[6-[7-[4-[9,9-dimethyl-7-(6-quinolin-8-yl-2-pyridinyl)fluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]quinoline.

Molecular Properties

• Compound Name: 8-[6-[7-[4-[9,9-dimethyl-7-(6-quinolin-8-yl-2-pyridinyl)fluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]quinoline
• PubChem CID: 58881286
• Molecular Formula: C64H46N4
• Molecular Weight: 871.10 g/mol
• Exact Mass: 870.37
• IUPAC Name: 8-[6-[7-[4-[9,9-dimethyl-7-(6-quinolin-8-yl-2-pyridinyl)fluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]quinoline
• SMILES: CC1(C)c2cc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cccc(-c7cccc8cccnc78)n6)ccc4-5)cc3)ccc2-c2ccc(-c3cccc(-c4cccc5cccnc45)n3)cc21
• InChI: InChI=1S/C64H46N4/c1-63(2)53-35-43(25-29-47(53)49-31-27-45(37-55(49)63)57-17-7-19-59(67-57)51-15-5-11-41-13-9-33-65-61(41)51)39-21-23-40(24-22-39)44-26-30-48-50-32-28-46(38-56(50)64(3,4)54(48)36-44)58-18-8-20-60(68-58)52-16-6-12-42-14-10-34-66-62(42)52/h5-38H,1-4H3
• InChIKey: FLSAJBAOPAQTNI-UHFFFAOYSA-N
• XLogP: 16.19
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.10
LogP ≤ 5	16.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[6-[7-[4-[9,9-dimethyl-7-(6-quinolin-8-yl-2-pyridinyl)fluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]quinoline?

The IUPAC name of 8-[6-[7-[4-[9,9-dimethyl-7-(6-quinolin-8-yl-2-pyridinyl)fluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]quinoline (CID 58881286) is 8-[6-[7-[4-[9,9-dimethyl-7-(6-quinolin-8-yl-2-pyridinyl)fluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]quinoline.

What is the SMILES notation for 8-[6-[7-[4-[9,9-dimethyl-7-(6-quinolin-8-yl-2-pyridinyl)fluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]quinoline?

The canonical SMILES for 8-[6-[7-[4-[9,9-dimethyl-7-(6-quinolin-8-yl-2-pyridinyl)fluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]quinoline is CC1(C)c2cc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cccc(-c7cccc8cccnc78)n6)ccc4-5)cc3)ccc2-c2ccc(-c3cccc(-c4cccc5cccnc45)n3)cc21.

What is the InChIKey of 8-[6-[7-[4-[9,9-dimethyl-7-(6-quinolin-8-yl-2-pyridinyl)fluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]quinoline?

The InChIKey is FLSAJBAOPAQTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N4/c1-63(2)53-35-43(25-29-47(53)49-31-27-45(37-55(49)63)57-17-7-19-59(67-57)51-15-5-11-41-13-9-33-65-61(41)51)39-21-23-40(24-22-39)44-26-30-48-50-32-28-46(38-56(50)64(3,4)54(48)36-44)58-18-8-20-60(68-58)52-16-6-12-42-14-10-34-66-62(42)52/h5-38H,1-4H3.

What are the key properties of 8-[6-[7-[4-[9,9-dimethyl-7-(6-quinolin-8-yl-2-pyridinyl)fluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]quinoline?

8-[6-[7-[4-[9,9-dimethyl-7-(6-quinolin-8-yl-2-pyridinyl)fluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]quinoline has a molecular weight of 871.10 g/mol, XLogP of 16.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-[7-[4-[9,9-dimethyl-7-(6-quinolin-8-yl-2-pyridinyl)fluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]quinoline is sourced from PubChem (CID 58881286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).