3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine

C63H42N4 — CID 155116760

IUPAC3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5cccc(-c6cncc(-c7cccnc7)c6)c5)cc(-c5cccc(-c6cncc(-c7cccnc7)c6)c5)c4)cc32)cc1
InChIInChI=1S/C63H42N4/c1-3-19-57(20-4-1)63(58-21-5-2-6-22-58)61-24-8-7-23-59(61)60-26-25-47(36-62(60)63)52-32-50(43-13-9-15-45(29-43)53-34-55(41-66-39-53)48-17-11-27-64-37-48)31-51(33-52)44-14-10-16-46(30-44)54-35-56(42-67-40-54)49-18-12-28-65-38-49/h1-42H
InChIKeyDMJKUJYDMQWQML-UHFFFAOYSA-N
MW855.06 g/mol
LogP15.30
Rot. Bonds9

About 3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine

3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine (PubChem CID 155116760) has the molecular formula C63H42N4 and a molecular weight of 855.06 g/mol. Its IUPAC name is 3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine.

Molecular Properties

Compound Name3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
PubChem CID155116760
Molecular FormulaC63H42N4
Molecular Weight855.06 g/mol
Exact Mass854.34
IUPAC Name3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5cccc(-c6cncc(-c7cccnc7)c6)c5)cc(-c5cccc(-c6cncc(-c7cccnc7)c6)c5)c4)cc32)cc1
InChIInChI=1S/C63H42N4/c1-3-19-57(20-4-1)63(58-21-5-2-6-22-58)61-24-8-7-23-59(61)60-26-25-47(36-62(60)63)52-32-50(43-13-9-15-45(29-43)53-34-55(41-66-39-53)48-17-11-27-64-37-48)31-51(33-52)44-14-10-16-46(30-44)54-35-56(42-67-40-54)49-18-12-28-65-38-49/h1-42H
InChIKeyDMJKUJYDMQWQML-UHFFFAOYSA-N
XLogP15.30
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.06
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 164785730
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
N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-9,9-dipyridin-3-ylfluoren-2-amine
CID 118245852
4-[4-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 146633222
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-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine?
The IUPAC name of 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) is 3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine.
What is the SMILES notation for 3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine?
The canonical SMILES for 3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5cccc(-c6cncc(-c7cccnc7)c6)c5)cc(-c5cccc(-c6cncc(-c7cccnc7)c6)c5)c4)cc32)cc1.
What is the InChIKey of 3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine?
The InChIKey is DMJKUJYDMQWQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4/c1-3-19-57(20-4-1)63(58-21-5-2-6-22-58)61-24-8-7-23-59(61)60-26-25-47(36-62(60)63)52-32-50(43-13-9-15-45(29-43)53-34-55(41-66-39-53)48-17-11-27-64-37-48)31-51(33-52)44-14-10-16-46(30-44)54-35-56(42-67-40-54)49-18-12-28-65-38-49/h1-42H.
What are the key properties of 3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine?
3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine has a molecular weight of 855.06 g/mol, XLogP of 15.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine is sourced from PubChem (CID 155116760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).