2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene

C99H130 — CID 101111092

About 2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene

2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene (PubChem CID 101111092) has the molecular formula C99H130 and a molecular weight of 1320.13 g/mol. Its IUPAC name is 2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene.

Molecular Properties

• Compound Name: 2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene
• PubChem CID: 101111092
• Molecular Formula: C99H130
• Molecular Weight: 1320.13 g/mol
• Exact Mass: 1319.02
• IUPAC Name: 2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene
• SMILES: CCCCC(CC)CC1(CC(CC)CCCC)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(CC(CC)CCCC)(CC(CC)CCCC)c4cc(-c6ccc(-c7ccc8c(c7)C(CC(CC)CCCC)(CC(CC)CCCC)c7ccccc7-8)cc6)ccc4-5)cc3)cc21
• InChI: InChI=1S/C99H130/c1-13-25-35-71(19-7)65-97(66-72(20-8)36-26-14-2)91-43-33-31-41-85(91)87-57-53-81(61-93(87)97)77-45-49-79(50-46-77)83-55-59-89-90-60-56-84(64-96(90)99(95(89)63-83,69-75(23-11)39-29-17-5)70-76(24-12)40-30-18-6)80-51-47-78(48-52-80)82-54-58-88-86-42-32-34-44-92(86)98(94(88)62-82,67-73(21-9)37-27-15-3)68-74(22-10)38-28-16-4/h31-34,41-64,71-76H,13-30,35-40,65-70H2,1-12H3
• InChIKey: VWDAEWZQHSKTPC-UHFFFAOYSA-N
• XLogP: 30.79
• TPSA: 0.00 Ų
• Rotatable Bonds: 40
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1320.13
LogP ≤ 5	30.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene?

The IUPAC name of 2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene (CID 101111092) is 2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene.

What is the SMILES notation for 2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene?

The canonical SMILES for 2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene is CCCCC(CC)CC1(CC(CC)CCCC)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(CC(CC)CCCC)(CC(CC)CCCC)c4cc(-c6ccc(-c7ccc8c(c7)C(CC(CC)CCCC)(CC(CC)CCCC)c7ccccc7-8)cc6)ccc4-5)cc3)cc21.

What is the InChIKey of 2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene?

The InChIKey is VWDAEWZQHSKTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H130/c1-13-25-35-71(19-7)65-97(66-72(20-8)36-26-14-2)91-43-33-31-41-85(91)87-57-53-81(61-93(87)97)77-45-49-79(50-46-77)83-55-59-89-90-60-56-84(64-96(90)99(95(89)63-83,69-75(23-11)39-29-17-5)70-76(24-12)40-30-18-6)80-51-47-78(48-52-80)82-54-58-88-86-42-32-34-44-92(86)98(94(88)62-82,67-73(21-9)37-27-15-3)68-74(22-10)38-28-16-4/h31-34,41-64,71-76H,13-30,35-40,65-70H2,1-12H3.

What are the key properties of 2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene?

2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene has a molecular weight of 1320.13 g/mol, XLogP of 30.79, 40 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene is sourced from PubChem (CID 101111092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).