2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine

C53H36N2 — CID 142385097

IUPAC2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccncc4)c4ccccc4-5)c3)c2)cc1
InChIInChI=1S/C53H36N2/c1-4-14-37(15-5-1)39-18-12-20-41(32-39)44-35-51(42-21-13-19-40(33-42)38-16-6-2-7-17-38)55-52(36-44)43-26-27-48-47-24-10-11-25-49(47)53(50(48)34-43,45-22-8-3-9-23-45)46-28-30-54-31-29-46/h1-36H
InChIKeyAZUJPDJTGFUBBS-UHFFFAOYSA-N
MW700.89 g/mol
LogP13.17
Rot. Bonds7

About 2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine

2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine (PubChem CID 142385097) has the molecular formula C53H36N2 and a molecular weight of 700.89 g/mol. Its IUPAC name is 2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine.

Molecular Properties

Compound Name2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine
PubChem CID142385097
Molecular FormulaC53H36N2
Molecular Weight700.89 g/mol
Exact Mass700.29
IUPAC Name2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccncc4)c4ccccc4-5)c3)c2)cc1
InChIInChI=1S/C53H36N2/c1-4-14-37(15-5-1)39-18-12-20-41(32-39)44-35-51(42-21-13-19-40(33-42)38-16-6-2-7-17-38)55-52(36-44)43-26-27-48-47-24-10-11-25-49(47)53(50(48)34-43,45-22-8-3-9-23-45)46-28-30-54-31-29-46/h1-36H
InChIKeyAZUJPDJTGFUBBS-UHFFFAOYSA-N
XLogP13.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.89
LogP ≤ 513.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane
CID 142385444
2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine
CID 142385446
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenylpyridine
CID 134272003
2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 161308623
4-(9,9-diphenyl-7-pyridin-4-ylfluoren-2-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 137452128
4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine
CID 177115865
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2-(9,9-diphenylfluoren-2-yl)-4-[4-[5-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(9,9-diphenylfluoren-2-yl)-2-[4-[5-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(4-phenylphenyl)-2-[4-[5-[4-[4-(4-phenylphenyl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-pyridin-4-ylpyrimidine;4-(4-phenylphenyl)-6-[4-[5-[4-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]naphthalen-1-yl]phenyl]-2-pyridin-4-ylpyrimidine;4-phenyl-2-[4-[5-[4-(4-phenyl-6-pyridin-4-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-6-pyridin-4-ylpyrimidine
CID 160546703
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 157413794
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 121450608
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;4-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 163695786
3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 164785730

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine?
The IUPAC name of 2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine (CID 142385097) is 2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine.
What is the SMILES notation for 2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine?
The canonical SMILES for 2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine is c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccncc4)c4ccccc4-5)c3)c2)cc1.
What is the InChIKey of 2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine?
The InChIKey is AZUJPDJTGFUBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2/c1-4-14-37(15-5-1)39-18-12-20-41(32-39)44-35-51(42-21-13-19-40(33-42)38-16-6-2-7-17-38)55-52(36-44)43-26-27-48-47-24-10-11-25-49(47)53(50(48)34-43,45-22-8-3-9-23-45)46-28-30-54-31-29-46/h1-36H.
What are the key properties of 2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine?
2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine has a molecular weight of 700.89 g/mol, XLogP of 13.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine is sourced from PubChem (CID 142385097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).