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

C77H58N4 — CID 58881067

IUPAC2-[3-[7-[7-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine
SMILESCC1(C)c2cc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(-c8ccccn8)cc(-c8ccccn8)c7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C77H58N4/c1-75(2)65-41-47(49-21-27-61-63-29-23-51(45-69(63)76(3,4)67(61)43-49)53-35-55(71-15-7-11-31-78-71)39-56(36-53)72-16-8-12-32-79-72)19-25-59(65)60-26-20-48(42-66(60)75)50-22-28-62-64-30-24-52(46-70(64)77(5,6)68(62)44-50)54-37-57(73-17-9-13-33-80-73)40-58(38-54)74-18-10-14-34-81-74/h7-46H,1-6H3
InChIKeyGAHMSQRXLQBBGZ-UHFFFAOYSA-N
MW1039.34 g/mol
LogP19.52
Rot. Bonds8

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

2-[3-[7-[7-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine (PubChem CID 58881067) has the molecular formula C77H58N4 and a molecular weight of 1039.34 g/mol. Its IUPAC name is 2-[3-[7-[7-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine.

Molecular Properties

Compound Name2-[3-[7-[7-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine
PubChem CID58881067
Molecular FormulaC77H58N4
Molecular Weight1039.34 g/mol
Exact Mass1038.47
IUPAC Name2-[3-[7-[7-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine
SMILESCC1(C)c2cc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(-c8ccccn8)cc(-c8ccccn8)c7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C77H58N4/c1-75(2)65-41-47(49-21-27-61-63-29-23-51(45-69(63)76(3,4)67(61)43-49)53-35-55(71-15-7-11-31-78-71)39-56(36-53)72-16-8-12-32-79-72)19-25-59(65)60-26-20-48(42-66(60)75)50-22-28-62-64-30-24-52(46-70(64)77(5,6)68(62)44-50)54-37-57(73-17-9-13-33-80-73)40-58(38-54)74-18-10-14-34-81-74/h7-46H,1-6H3
InChIKeyGAHMSQRXLQBBGZ-UHFFFAOYSA-N
XLogP19.52
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.34
LogP ≤ 519.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[7-[7-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-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-[7-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine?
The IUPAC name of 2-[3-[7-[7-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine (CID 58881067) is 2-[3-[7-[7-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine.
What is the SMILES notation for 2-[3-[7-[7-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine?
The canonical SMILES for 2-[3-[7-[7-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine is CC1(C)c2cc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(-c8ccccn8)cc(-c8ccccn8)c7)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 2-[3-[7-[7-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine?
The InChIKey is GAHMSQRXLQBBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H58N4/c1-75(2)65-41-47(49-21-27-61-63-29-23-51(45-69(63)76(3,4)67(61)43-49)53-35-55(71-15-7-11-31-78-71)39-56(36-53)72-16-8-12-32-79-72)19-25-59(65)60-26-20-48(42-66(60)75)50-22-28-62-64-30-24-52(46-70(64)77(5,6)68(62)44-50)54-37-57(73-17-9-13-33-80-73)40-58(38-54)74-18-10-14-34-81-74/h7-46H,1-6H3.
What are the key properties of 2-[3-[7-[7-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine?
2-[3-[7-[7-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine has a molecular weight of 1039.34 g/mol, XLogP of 19.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[7-[7-[7-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-pyridin-2-ylphenyl]pyridine is sourced from PubChem (CID 58881067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).