2-phenyl-7-(7-phenyl-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene

C50H50 — CID 15362863

IUPAC2-phenyl-7-(7-phenyl-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
SMILESCCCC1(CCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C50H50/c1-5-27-49(28-6-2)45-31-37(35-15-11-9-12-16-35)19-23-41(45)43-25-21-39(33-47(43)49)40-22-26-44-42-24-20-38(36-17-13-10-14-18-36)32-46(42)50(29-7-3,30-8-4)48(44)34-40/h9-26,31-34H,5-8,27-30H2,1-4H3
InChIKeyOGRABAHWAQHEKU-UHFFFAOYSA-N
MW650.95 g/mol
LogP14.42
Rot. Bonds11

About 2-phenyl-7-(7-phenyl-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene

2-phenyl-7-(7-phenyl-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene (PubChem CID 15362863) has the molecular formula C50H50 and a molecular weight of 650.95 g/mol. Its IUPAC name is 2-phenyl-7-(7-phenyl-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene.

Molecular Properties

Compound Name2-phenyl-7-(7-phenyl-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
PubChem CID15362863
Molecular FormulaC50H50
Molecular Weight650.95 g/mol
Exact Mass650.39
IUPAC Name2-phenyl-7-(7-phenyl-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
SMILESCCCC1(CCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C50H50/c1-5-27-49(28-6-2)45-31-37(35-15-11-9-12-16-35)19-23-41(45)43-25-21-39(33-47(43)49)40-22-26-44-42-24-20-38(36-17-13-10-14-18-36)32-46(42)50(29-7-3,30-8-4)48(44)34-40/h9-26,31-34H,5-8,27-30H2,1-4H3
InChIKeyOGRABAHWAQHEKU-UHFFFAOYSA-N
XLogP14.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.95
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-(7-phenyl-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene?
The IUPAC name of 2-phenyl-7-(7-phenyl-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene (CID 15362863) is 2-phenyl-7-(7-phenyl-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene.
What is the SMILES notation for 2-phenyl-7-(7-phenyl-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene?
The canonical SMILES for 2-phenyl-7-(7-phenyl-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene is CCCC1(CCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccccc5)ccc3-4)cc21.
What is the InChIKey of 2-phenyl-7-(7-phenyl-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene?
The InChIKey is OGRABAHWAQHEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H50/c1-5-27-49(28-6-2)45-31-37(35-15-11-9-12-16-35)19-23-41(45)43-25-21-39(33-47(43)49)40-22-26-44-42-24-20-38(36-17-13-10-14-18-36)32-46(42)50(29-7-3,30-8-4)48(44)34-40/h9-26,31-34H,5-8,27-30H2,1-4H3.
What are the key properties of 2-phenyl-7-(7-phenyl-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene?
2-phenyl-7-(7-phenyl-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene has a molecular weight of 650.95 g/mol, XLogP of 14.42, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-(7-phenyl-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene is sourced from PubChem (CID 15362863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).