8-[3-[7-[7-[3,5-di(quinolin-8-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline

C78H54N4 — CID 58880956

IUPAC8-[3-[7-[7-[3,5-di(quinolin-8-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline
SMILESCC1(C)c2cc(-c3cc(-c4cccc5cccnc45)cc(-c4cccc5cccnc45)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc(-c6cccc7cccnc67)cc(-c6cccc7cccnc67)c5)ccc3-4)cc21
InChIInChI=1S/C78H54N4/c1-77(2)69-43-51(25-29-65(69)67-31-27-53(45-71(67)77)55-37-57(61-21-5-13-47-17-9-33-79-73(47)61)41-58(38-55)62-22-6-14-48-18-10-34-80-74(48)62)52-26-30-66-68-32-28-54(46-72(68)78(3,4)70(66)44-52)56-39-59(63-23-7-15-49-19-11-35-81-75(49)63)42-60(40-56)64-24-8-16-50-20-12-36-82-76(50)64/h5-46H,1-4H3
InChIKeyRSDVQTSLKCOAOT-UHFFFAOYSA-N
MW1047.32 g/mol
LogP20.16
Rot. Bonds7

About 8-[3-[7-[7-[3,5-di(quinolin-8-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline

8-[3-[7-[7-[3,5-di(quinolin-8-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline (PubChem CID 58880956) has the molecular formula C78H54N4 and a molecular weight of 1047.32 g/mol. Its IUPAC name is 8-[3-[7-[7-[3,5-di(quinolin-8-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline.

Molecular Properties

Compound Name8-[3-[7-[7-[3,5-di(quinolin-8-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline
PubChem CID58880956
Molecular FormulaC78H54N4
Molecular Weight1047.32 g/mol
Exact Mass1046.43
IUPAC Name8-[3-[7-[7-[3,5-di(quinolin-8-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline
SMILESCC1(C)c2cc(-c3cc(-c4cccc5cccnc45)cc(-c4cccc5cccnc45)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc(-c6cccc7cccnc67)cc(-c6cccc7cccnc67)c5)ccc3-4)cc21
InChIInChI=1S/C78H54N4/c1-77(2)69-43-51(25-29-65(69)67-31-27-53(45-71(67)77)55-37-57(61-21-5-13-47-17-9-33-79-73(47)61)41-58(38-55)62-22-6-14-48-18-10-34-80-74(48)62)52-26-30-66-68-32-28-54(46-72(68)78(3,4)70(66)44-52)56-39-59(63-23-7-15-49-19-11-35-81-75(49)63)42-60(40-56)64-24-8-16-50-20-12-36-82-76(50)64/h5-46H,1-4H3
InChIKeyRSDVQTSLKCOAOT-UHFFFAOYSA-N
XLogP20.16
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001047.32
LogP ≤ 520.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[3-[7-[7-[3,5-di(quinolin-8-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline?
The IUPAC name of 8-[3-[7-[7-[3,5-di(quinolin-8-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline (CID 58880956) is 8-[3-[7-[7-[3,5-di(quinolin-8-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline.
What is the SMILES notation for 8-[3-[7-[7-[3,5-di(quinolin-8-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline?
The canonical SMILES for 8-[3-[7-[7-[3,5-di(quinolin-8-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline is CC1(C)c2cc(-c3cc(-c4cccc5cccnc45)cc(-c4cccc5cccnc45)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc(-c6cccc7cccnc67)cc(-c6cccc7cccnc67)c5)ccc3-4)cc21.
What is the InChIKey of 8-[3-[7-[7-[3,5-di(quinolin-8-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline?
The InChIKey is RSDVQTSLKCOAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H54N4/c1-77(2)69-43-51(25-29-65(69)67-31-27-53(45-71(67)77)55-37-57(61-21-5-13-47-17-9-33-79-73(47)61)41-58(38-55)62-22-6-14-48-18-10-34-80-74(48)62)52-26-30-66-68-32-28-54(46-72(68)78(3,4)70(66)44-52)56-39-59(63-23-7-15-49-19-11-35-81-75(49)63)42-60(40-56)64-24-8-16-50-20-12-36-82-76(50)64/h5-46H,1-4H3.
What are the key properties of 8-[3-[7-[7-[3,5-di(quinolin-8-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline?
8-[3-[7-[7-[3,5-di(quinolin-8-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline has a molecular weight of 1047.32 g/mol, XLogP of 20.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[7-[7-[3,5-di(quinolin-8-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline is sourced from PubChem (CID 58880956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).