9-(9,9-dipropylfluoren-2-yl)-10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracene

C94H88 — CID 20822027

About 9-(9,9-dipropylfluoren-2-yl)-10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracene

9-(9,9-dipropylfluoren-2-yl)-10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracene (PubChem CID 20822027) has the molecular formula C94H88 and a molecular weight of 1217.74 g/mol. Its IUPAC name is 9-(9,9-dipropylfluoren-2-yl)-10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracene.

Molecular Properties

• Compound Name: 9-(9,9-dipropylfluoren-2-yl)-10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracene
• PubChem CID: 20822027
• Molecular Formula: C94H88
• Molecular Weight: 1217.74 g/mol
• Exact Mass: 1216.69
• IUPAC Name: 9-(9,9-dipropylfluoren-2-yl)-10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracene
• SMILES: CCCc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc6c(c5)C(CCC)(CCC)c5cc(-c7c8ccccc8c(-c8ccc9c(c8)C(CCC)(CCC)c8ccccc8-9)c8ccccc78)ccc5-6)ccc3-4)c3ccccc23)cc1
• InChI: InChI=1S/C94H88/c1-8-25-61-36-38-62(39-37-61)88-74-27-15-17-29-76(74)89(77-30-18-16-28-75(77)88)66-43-48-72-70-45-40-63(56-83(70)93(52-11-4,53-12-5)86(72)59-66)64-41-46-71-73-49-44-67(60-87(73)94(54-13-6,55-14-7)84(71)57-64)91-80-33-21-19-31-78(80)90(79-32-20-22-34-81(79)91)65-42-47-69-68-26-23-24-35-82(68)92(50-9-2,51-10-3)85(69)58-65/h15-24,26-49,56-60H,8-14,25,50-55H2,1-7H3
• InChIKey: KBPLSENSGJTFMH-UHFFFAOYSA-N
• XLogP: 27.19
• TPSA: 0.00 Ų
• Rotatable Bonds: 19
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1217.74
LogP ≤ 5	27.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dipropylfluoren-2-yl)-10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracene?

The IUPAC name of 9-(9,9-dipropylfluoren-2-yl)-10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracene (CID 20822027) is 9-(9,9-dipropylfluoren-2-yl)-10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracene.

What is the SMILES notation for 9-(9,9-dipropylfluoren-2-yl)-10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracene?

The canonical SMILES for 9-(9,9-dipropylfluoren-2-yl)-10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracene is CCCc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc6c(c5)C(CCC)(CCC)c5cc(-c7c8ccccc8c(-c8ccc9c(c8)C(CCC)(CCC)c8ccccc8-9)c8ccccc78)ccc5-6)ccc3-4)c3ccccc23)cc1.

What is the InChIKey of 9-(9,9-dipropylfluoren-2-yl)-10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracene?

The InChIKey is KBPLSENSGJTFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H88/c1-8-25-61-36-38-62(39-37-61)88-74-27-15-17-29-76(74)89(77-30-18-16-28-75(77)88)66-43-48-72-70-45-40-63(56-83(70)93(52-11-4,53-12-5)86(72)59-66)64-41-46-71-73-49-44-67(60-87(73)94(54-13-6,55-14-7)84(71)57-64)91-80-33-21-19-31-78(80)90(79-32-20-22-34-81(79)91)65-42-47-69-68-26-23-24-35-82(68)92(50-9-2,51-10-3)85(69)58-65/h15-24,26-49,56-60H,8-14,25,50-55H2,1-7H3.

What are the key properties of 9-(9,9-dipropylfluoren-2-yl)-10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracene?

9-(9,9-dipropylfluoren-2-yl)-10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracene has a molecular weight of 1217.74 g/mol, XLogP of 27.19, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(9,9-dipropylfluoren-2-yl)-10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracene is sourced from PubChem (CID 20822027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).