3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine

C65H44N2 — CID 164785730

IUPAC3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5cccc(-c6cccc(-c7cccnc7)c6)c5)cc(-c5cccc(-c6cccc(-c7cccnc7)c6)c5)c4)cc32)cc1
InChIInChI=1S/C65H44N2/c1-3-25-59(26-4-1)65(60-27-5-2-6-28-60)63-30-8-7-29-61(63)62-32-31-53(42-64(62)65)58-40-56(51-21-11-17-47(37-51)45-15-9-19-49(35-45)54-23-13-33-66-43-54)39-57(41-58)52-22-12-18-48(38-52)46-16-10-20-50(36-46)55-24-14-34-67-44-55/h1-44H
InChIKeyZBLAGAGGHZPHCB-UHFFFAOYSA-N
MW853.08 g/mol
LogP16.51
Rot. Bonds9

About 3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine

3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine (PubChem CID 164785730) has the molecular formula C65H44N2 and a molecular weight of 853.08 g/mol. Its IUPAC name is 3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
PubChem CID164785730
Molecular FormulaC65H44N2
Molecular Weight853.08 g/mol
Exact Mass852.35
IUPAC Name3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5cccc(-c6cccc(-c7cccnc7)c6)c5)cc(-c5cccc(-c6cccc(-c7cccnc7)c6)c5)c4)cc32)cc1
InChIInChI=1S/C65H44N2/c1-3-25-59(26-4-1)65(60-27-5-2-6-28-60)63-30-8-7-29-61(63)62-32-31-53(42-64(62)65)58-40-56(51-21-11-17-47(37-51)45-15-9-19-49(35-45)54-23-13-33-66-43-54)39-57(41-58)52-22-12-18-48(38-52)46-16-10-20-50(36-46)55-24-14-34-67-44-55/h1-44H
InChIKeyZBLAGAGGHZPHCB-UHFFFAOYSA-N
XLogP16.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.08
LogP ≤ 516.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116760
2-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146633258
4-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146631917
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 159513755
2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine
CID 142385097
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 146631972
4-[4-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 146633222
N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-9,9-dipyridin-3-ylfluoren-2-amine
CID 118245852
2,4-diphenyl-6-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine
CID 137452000
2-(9,9-diphenyl-7-pyridin-3-ylfluoren-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenyl-7-pyridin-4-ylfluoren-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenyl-7-pyridin-4-ylfluoren-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenyl-7-pyridin-4-ylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;4,6-diphenyl-2-[3-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]phenyl]pyrimidine;bis(2,4-diphenyl-6-[3-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]phenyl]-1,3,5-triazine);2,4-diphenyl-6-[4-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]phenyl]-1,3,5-triazine
CID 157179986
4-(9,9-diphenylfluoren-4-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146631900

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine (CID 164785730) is 3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5cccc(-c6cccc(-c7cccnc7)c6)c5)cc(-c5cccc(-c6cccc(-c7cccnc7)c6)c5)c4)cc32)cc1.
What is the InChIKey of 3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The InChIKey is ZBLAGAGGHZPHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2/c1-3-25-59(26-4-1)65(60-27-5-2-6-28-60)63-30-8-7-29-61(63)62-32-31-53(42-64(62)65)58-40-56(51-21-11-17-47(37-51)45-15-9-19-49(35-45)54-23-13-33-66-43-54)39-57(41-58)52-22-12-18-48(38-52)46-16-10-20-50(36-46)55-24-14-34-67-44-55/h1-44H.
What are the key properties of 3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 853.08 g/mol, XLogP of 16.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 164785730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).