2-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine

C52H35N3 — CID 154995544

IUPAC2-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine
SMILESc1ccc(-c2ccc(-c3ccc(-c4cc(-c5cccnc5)nc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)n4)cc3)cc2)cc1
InChIInChI=1S/C52H35N3/c1-4-14-36(15-5-1)37-25-27-38(28-26-37)39-29-31-40(32-30-39)48-34-49(41-16-13-33-53-35-41)55-51(54-48)45-22-12-24-47-50(45)44-21-10-11-23-46(44)52(47,42-17-6-2-7-18-42)43-19-8-3-9-20-43/h1-35H
InChIKeyLHHOHHKXPGKFGV-UHFFFAOYSA-N
MW701.87 g/mol
LogP12.57
Rot. Bonds7

About 2-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine

2-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine (PubChem CID 154995544) has the molecular formula C52H35N3 and a molecular weight of 701.87 g/mol. Its IUPAC name is 2-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name2-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine
PubChem CID154995544
Molecular FormulaC52H35N3
Molecular Weight701.87 g/mol
Exact Mass701.28
IUPAC Name2-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine
SMILESc1ccc(-c2ccc(-c3ccc(-c4cc(-c5cccnc5)nc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)n4)cc3)cc2)cc1
InChIInChI=1S/C52H35N3/c1-4-14-36(15-5-1)37-25-27-38(28-26-37)39-29-31-40(32-30-39)48-34-49(41-16-13-33-53-35-41)55-51(54-48)45-22-12-24-47-50(45)44-21-10-11-23-46(44)52(47,42-17-6-2-7-18-42)43-19-8-3-9-20-43/h1-35H
InChIKeyLHHOHHKXPGKFGV-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

4-(9,9-diphenylfluoren-4-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146631900
2,4-diphenyl-6-[3-[3-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)phenyl]phenyl]pyrimidine
CID 142385241
2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168776711
4-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146631917
4-[4-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 146633222
2-(9,9-dimethylfluoren-4-yl)-4,6-bis(4-pyridin-3-ylphenyl)pyrimidine
CID 126543598
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146632054
2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168779478
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168779870
2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 160879933
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
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

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine?
The IUPAC name of 2-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine (CID 154995544) is 2-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine.
What is the SMILES notation for 2-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine?
The canonical SMILES for 2-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine is c1ccc(-c2ccc(-c3ccc(-c4cc(-c5cccnc5)nc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)n4)cc3)cc2)cc1.
What is the InChIKey of 2-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine?
The InChIKey is LHHOHHKXPGKFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3/c1-4-14-36(15-5-1)37-25-27-38(28-26-37)39-29-31-40(32-30-39)48-34-49(41-16-13-33-53-35-41)55-51(54-48)45-22-12-24-47-50(45)44-21-10-11-23-46(44)52(47,42-17-6-2-7-18-42)43-19-8-3-9-20-43/h1-35H.
What are the key properties of 2-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine?
2-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine 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 2-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine is sourced from PubChem (CID 154995544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).