4,6-diphenyl-2-[3-[9-[3-(4-pyridin-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]pyrimidine

C52H35N3 — CID 154597082

IUPAC4,6-diphenyl-2-[3-[9-[3-(4-pyridin-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(C4(c5cccc(-c6ccc(-c7ccncc7)cc6)c5)c5ccccc5-c5ccccc54)c3)n2)cc1
InChIInChI=1S/C52H35N3/c1-3-13-39(14-4-1)49-35-50(40-15-5-2-6-16-40)55-51(54-49)42-18-12-20-44(34-42)52(47-23-9-7-21-45(47)46-22-8-10-24-48(46)52)43-19-11-17-41(33-43)37-27-25-36(26-28-37)38-29-31-53-32-30-38/h1-35H
InChIKeyPZRAQLJTPTZSQF-UHFFFAOYSA-N
MW701.87 g/mol
LogP12.57
Rot. Bonds7

About 4,6-diphenyl-2-[3-[9-[3-(4-pyridin-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]pyrimidine

4,6-diphenyl-2-[3-[9-[3-(4-pyridin-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]pyrimidine (PubChem CID 154597082) has the molecular formula C52H35N3 and a molecular weight of 701.87 g/mol. Its IUPAC name is 4,6-diphenyl-2-[3-[9-[3-(4-pyridin-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[3-[9-[3-(4-pyridin-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]pyrimidine
PubChem CID154597082
Molecular FormulaC52H35N3
Molecular Weight701.87 g/mol
Exact Mass701.28
IUPAC Name4,6-diphenyl-2-[3-[9-[3-(4-pyridin-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(C4(c5cccc(-c6ccc(-c7ccncc7)cc6)c5)c5ccccc5-c5ccccc54)c3)n2)cc1
InChIInChI=1S/C52H35N3/c1-3-13-39(14-4-1)49-35-50(40-15-5-2-6-16-40)55-51(54-49)42-18-12-20-44(34-42)52(47-23-9-7-21-45(47)46-22-8-10-24-48(46)52)43-19-11-17-41(33-43)37-27-25-36(26-28-37)38-29-31-53-32-30-38/h1-35H
InChIKeyPZRAQLJTPTZSQF-UHFFFAOYSA-N
XLogP12.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.87
LogP ≤ 512.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 130375062
2-(3-phenylphenyl)-4-(4-pyridin-4-ylphenyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine
CID 146632171
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-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine
CID 130375074
2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane
CID 142385444
2,4-diphenyl-6-[3-[9-[3-(4-pyridin-4-ylnaphthalen-1-yl)phenyl]fluoren-9-yl]phenyl]pyrimidine
CID 154597068
2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine
CID 142385446
bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine)
CID 162253673
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-diphenyl-7-pyridin-4-ylfluoren-2-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 137452128
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-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]benzonitrile
CID 146539220

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[3-[9-[3-(4-pyridin-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]pyrimidine?
The IUPAC name of 4,6-diphenyl-2-[3-[9-[3-(4-pyridin-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]pyrimidine (CID 154597082) is 4,6-diphenyl-2-[3-[9-[3-(4-pyridin-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[3-[9-[3-(4-pyridin-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[3-[9-[3-(4-pyridin-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]pyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(C4(c5cccc(-c6ccc(-c7ccncc7)cc6)c5)c5ccccc5-c5ccccc54)c3)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[3-[9-[3-(4-pyridin-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]pyrimidine?
The InChIKey is PZRAQLJTPTZSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3/c1-3-13-39(14-4-1)49-35-50(40-15-5-2-6-16-40)55-51(54-49)42-18-12-20-44(34-42)52(47-23-9-7-21-45(47)46-22-8-10-24-48(46)52)43-19-11-17-41(33-43)37-27-25-36(26-28-37)38-29-31-53-32-30-38/h1-35H.
What are the key properties of 4,6-diphenyl-2-[3-[9-[3-(4-pyridin-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]pyrimidine?
4,6-diphenyl-2-[3-[9-[3-(4-pyridin-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]pyrimidine has a molecular weight of 701.87 g/mol, XLogP of 12.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[3-[9-[3-(4-pyridin-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]pyrimidine is sourced from PubChem (CID 154597082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).