2-(4-methoxyphenyl)-7-[7-(4-methoxyphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene

C52H54O2 — CID 15362864

IUPAC2-(4-methoxyphenyl)-7-[7-(4-methoxyphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene
SMILESCCCC1(CCC)c2cc(-c3ccc(OC)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc(OC)cc5)ccc3-4)cc21
InChIInChI=1S/C52H54O2/c1-7-27-51(28-8-2)47-31-37(35-11-19-41(53-5)20-12-35)15-23-43(47)45-25-17-39(33-49(45)51)40-18-26-46-44-24-16-38(36-13-21-42(54-6)22-14-36)32-48(44)52(29-9-3,30-10-4)50(46)34-40/h11-26,31-34H,7-10,27-30H2,1-6H3
InChIKeyXHDBGIPTEJJRJG-UHFFFAOYSA-N
MW711.00 g/mol
LogP14.44
Rot. Bonds13

About 2-(4-methoxyphenyl)-7-[7-(4-methoxyphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene

2-(4-methoxyphenyl)-7-[7-(4-methoxyphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene (PubChem CID 15362864) has the molecular formula C52H54O2 and a molecular weight of 711.00 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-7-[7-(4-methoxyphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-7-[7-(4-methoxyphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene
PubChem CID15362864
Molecular FormulaC52H54O2
Molecular Weight711.00 g/mol
Exact Mass710.41
IUPAC Name2-(4-methoxyphenyl)-7-[7-(4-methoxyphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene
SMILESCCCC1(CCC)c2cc(-c3ccc(OC)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc(OC)cc5)ccc3-4)cc21
InChIInChI=1S/C52H54O2/c1-7-27-51(28-8-2)47-31-37(35-11-19-41(53-5)20-12-35)15-23-43(47)45-25-17-39(33-49(45)51)40-18-26-46-44-24-16-38(36-13-21-42(54-6)22-14-36)32-48(44)52(29-9-3,30-10-4)50(46)34-40/h11-26,31-34H,7-10,27-30H2,1-6H3
InChIKeyXHDBGIPTEJJRJG-UHFFFAOYSA-N
XLogP14.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.00
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-7-[7-(4-methoxyphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene?
The IUPAC name of 2-(4-methoxyphenyl)-7-[7-(4-methoxyphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene (CID 15362864) is 2-(4-methoxyphenyl)-7-[7-(4-methoxyphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene.
What is the SMILES notation for 2-(4-methoxyphenyl)-7-[7-(4-methoxyphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene?
The canonical SMILES for 2-(4-methoxyphenyl)-7-[7-(4-methoxyphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene is CCCC1(CCC)c2cc(-c3ccc(OC)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc(OC)cc5)ccc3-4)cc21.
What is the InChIKey of 2-(4-methoxyphenyl)-7-[7-(4-methoxyphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene?
The InChIKey is XHDBGIPTEJJRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H54O2/c1-7-27-51(28-8-2)47-31-37(35-11-19-41(53-5)20-12-35)15-23-43(47)45-25-17-39(33-49(45)51)40-18-26-46-44-24-16-38(36-13-21-42(54-6)22-14-36)32-48(44)52(29-9-3,30-10-4)50(46)34-40/h11-26,31-34H,7-10,27-30H2,1-6H3.
What are the key properties of 2-(4-methoxyphenyl)-7-[7-(4-methoxyphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene?
2-(4-methoxyphenyl)-7-[7-(4-methoxyphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene has a molecular weight of 711.00 g/mol, XLogP of 14.44, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-7-[7-(4-methoxyphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene is sourced from PubChem (CID 15362864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).