9,9-diphenyl-2-[2,3,4,5-tetrakis(9,9-diphenylfluoren-2-yl)phenyl]fluorene

C131H86 — CID 59733842

About 9,9-diphenyl-2-[2,3,4,5-tetrakis(9,9-diphenylfluoren-2-yl)phenyl]fluorene

9,9-diphenyl-2-[2,3,4,5-tetrakis(9,9-diphenylfluoren-2-yl)phenyl]fluorene (PubChem CID 59733842) has the molecular formula C131H86 and a molecular weight of 1660.13 g/mol. Its IUPAC name is 9,9-diphenyl-2-[2,3,4,5-tetrakis(9,9-diphenylfluoren-2-yl)phenyl]fluorene.

Molecular Properties

• Compound Name: 9,9-diphenyl-2-[2,3,4,5-tetrakis(9,9-diphenylfluoren-2-yl)phenyl]fluorene
• PubChem CID: 59733842
• Molecular Formula: C131H86
• Molecular Weight: 1660.13 g/mol
• Exact Mass: 1658.67
• IUPAC Name: 9,9-diphenyl-2-[2,3,4,5-tetrakis(9,9-diphenylfluoren-2-yl)phenyl]fluorene
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1
• InChI: InChI=1S/C131H86/c1-11-41-92(42-12-1)127(93-43-13-2-14-44-93)114-66-36-31-61-102(114)107-76-71-87(81-119(107)127)112-86-113(88-72-77-108-103-62-32-37-67-115(103)128(120(108)82-88,94-45-15-3-16-46-94)95-47-17-4-18-48-95)125(90-74-79-110-105-64-34-39-69-117(105)130(122(110)84-90,98-53-23-7-24-54-98)99-55-25-8-26-56-99)126(91-75-80-111-106-65-35-40-70-118(106)131(123(111)85-91,100-57-27-9-28-58-100)101-59-29-10-30-60-101)124(112)89-73-78-109-104-63-33-38-68-116(104)129(121(109)83-89,96-49-19-5-20-50-96)97-51-21-6-22-52-97/h1-86H
• InChIKey: LBOVWVLZBXWPBX-UHFFFAOYSA-N
• XLogP: 31.84
• TPSA: 0.00 Ų
• Rotatable Bonds: 15
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1660.13
LogP ≤ 5	31.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-2-[2,3,4,5-tetrakis(9,9-diphenylfluoren-2-yl)phenyl]fluorene?

The IUPAC name of 9,9-diphenyl-2-[2,3,4,5-tetrakis(9,9-diphenylfluoren-2-yl)phenyl]fluorene (CID 59733842) is 9,9-diphenyl-2-[2,3,4,5-tetrakis(9,9-diphenylfluoren-2-yl)phenyl]fluorene.

What is the SMILES notation for 9,9-diphenyl-2-[2,3,4,5-tetrakis(9,9-diphenylfluoren-2-yl)phenyl]fluorene?

The canonical SMILES for 9,9-diphenyl-2-[2,3,4,5-tetrakis(9,9-diphenylfluoren-2-yl)phenyl]fluorene is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1.

What is the InChIKey of 9,9-diphenyl-2-[2,3,4,5-tetrakis(9,9-diphenylfluoren-2-yl)phenyl]fluorene?

The InChIKey is LBOVWVLZBXWPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C131H86/c1-11-41-92(42-12-1)127(93-43-13-2-14-44-93)114-66-36-31-61-102(114)107-76-71-87(81-119(107)127)112-86-113(88-72-77-108-103-62-32-37-67-115(103)128(120(108)82-88,94-45-15-3-16-46-94)95-47-17-4-18-48-95)125(90-74-79-110-105-64-34-39-69-117(105)130(122(110)84-90,98-53-23-7-24-54-98)99-55-25-8-26-56-99)126(91-75-80-111-106-65-35-40-70-118(106)131(123(111)85-91,100-57-27-9-28-58-100)101-59-29-10-30-60-101)124(112)89-73-78-109-104-63-33-38-68-116(104)129(121(109)83-89,96-49-19-5-20-50-96)97-51-21-6-22-52-97/h1-86H.

What are the key properties of 9,9-diphenyl-2-[2,3,4,5-tetrakis(9,9-diphenylfluoren-2-yl)phenyl]fluorene?

9,9-diphenyl-2-[2,3,4,5-tetrakis(9,9-diphenylfluoren-2-yl)phenyl]fluorene has a molecular weight of 1660.13 g/mol, XLogP of 31.84, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-diphenyl-2-[2,3,4,5-tetrakis(9,9-diphenylfluoren-2-yl)phenyl]fluorene is sourced from PubChem (CID 59733842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).