2-[3-[7-[4-[4-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine

C74H54N4 — CID 58880957

IUPAC2-[3-[7-[4-[4-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(-c8ccccn8)cc(-c8ccccn8)c7)ccc5-6)cc4)cc3)ccc2-c2ccc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)cc21
InChIInChI=1S/C74H54N4/c1-73(2)65-43-51(25-29-61(65)63-31-27-53(45-67(63)73)55-37-57(69-13-5-9-33-75-69)41-58(38-55)70-14-6-10-34-76-70)49-21-17-47(18-22-49)48-19-23-50(24-20-48)52-26-30-62-64-32-28-54(46-68(64)74(3,4)66(62)44-52)56-39-59(71-15-7-11-35-77-71)42-60(40-56)72-16-8-12-36-78-72/h5-46H,1-4H3
InChIKeyIJQDCSDQZAGZBE-UHFFFAOYSA-N
MW999.27 g/mol
LogP18.88
Rot. Bonds9

About 2-[3-[7-[4-[4-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine

2-[3-[7-[4-[4-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine (PubChem CID 58880957) has the molecular formula C74H54N4 and a molecular weight of 999.27 g/mol. Its IUPAC name is 2-[3-[7-[4-[4-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine.

Molecular Properties

Compound Name2-[3-[7-[4-[4-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine
PubChem CID58880957
Molecular FormulaC74H54N4
Molecular Weight999.27 g/mol
Exact Mass998.43
IUPAC Name2-[3-[7-[4-[4-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(-c8ccccn8)cc(-c8ccccn8)c7)ccc5-6)cc4)cc3)ccc2-c2ccc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)cc21
InChIInChI=1S/C74H54N4/c1-73(2)65-43-51(25-29-61(65)63-31-27-53(45-67(63)73)55-37-57(69-13-5-9-33-75-69)41-58(38-55)70-14-6-10-34-76-70)49-21-17-47(18-22-49)48-19-23-50(24-20-48)52-26-30-62-64-32-28-54(46-68(64)74(3,4)66(62)44-52)56-39-59(71-15-7-11-35-77-71)42-60(40-56)72-16-8-12-36-78-72/h5-46H,1-4H3
InChIKeyIJQDCSDQZAGZBE-UHFFFAOYSA-N
XLogP18.88
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.27
LogP ≤ 518.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[7-[4-[4-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[7-[4-[4-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine?
The IUPAC name of 2-[3-[7-[4-[4-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine (CID 58880957) is 2-[3-[7-[4-[4-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine.
What is the SMILES notation for 2-[3-[7-[4-[4-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine?
The canonical SMILES for 2-[3-[7-[4-[4-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine is CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(-c8ccccn8)cc(-c8ccccn8)c7)ccc5-6)cc4)cc3)ccc2-c2ccc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)cc21.
What is the InChIKey of 2-[3-[7-[4-[4-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine?
The InChIKey is IJQDCSDQZAGZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H54N4/c1-73(2)65-43-51(25-29-61(65)63-31-27-53(45-67(63)73)55-37-57(69-13-5-9-33-75-69)41-58(38-55)70-14-6-10-34-76-70)49-21-17-47(18-22-49)48-19-23-50(24-20-48)52-26-30-62-64-32-28-54(46-68(64)74(3,4)66(62)44-52)56-39-59(71-15-7-11-35-77-71)42-60(40-56)72-16-8-12-36-78-72/h5-46H,1-4H3.
What are the key properties of 2-[3-[7-[4-[4-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine?
2-[3-[7-[4-[4-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine has a molecular weight of 999.27 g/mol, XLogP of 18.88, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[7-[4-[4-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine is sourced from PubChem (CID 58880957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).