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

C52H35N3 — CID 142385241

IUPAC2,4-diphenyl-6-[3-[3-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5cccnc5)c4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H35N3/c1-4-16-36(17-5-1)48-34-49(55-51(54-48)37-18-6-2-7-19-37)41-23-13-21-39(33-41)38-20-12-22-40(32-38)44-28-14-30-47-50(44)45-27-10-11-29-46(45)52(47,42-24-8-3-9-25-42)43-26-15-31-53-35-43/h1-35H
InChIKeyUBVFJARVAYEHHA-UHFFFAOYSA-N
MW701.87 g/mol
LogP12.57
Rot. Bonds7

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

2,4-diphenyl-6-[3-[3-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)phenyl]phenyl]pyrimidine (PubChem CID 142385241) has the molecular formula C52H35N3 and a molecular weight of 701.87 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-[3-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-[3-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)phenyl]phenyl]pyrimidine
PubChem CID142385241
Molecular FormulaC52H35N3
Molecular Weight701.87 g/mol
Exact Mass701.28
IUPAC Name2,4-diphenyl-6-[3-[3-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5cccnc5)c4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H35N3/c1-4-16-36(17-5-1)48-34-49(55-51(54-48)37-18-6-2-7-19-37)41-23-13-21-39(33-41)38-20-12-22-40(32-38)44-28-14-30-47-50(44)45-27-10-11-29-46(45)52(47,42-24-8-3-9-25-42)43-26-15-31-53-35-43/h1-35H
InChIKeyUBVFJARVAYEHHA-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-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine
CID 154995544
4-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146631917
4,6-diphenyl-2-[3-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 161181534
4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-[11-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine
CID 165151266
2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272127
4-(3-phenylphenyl)-6-(4-phenylphenyl)-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 90059569
4-[4-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 146633222
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 121450608
4-(4-dibenzofuran-3-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603135
4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168776798
4-[3-(9-methyl-9-phenyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 155765199

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-[3-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)phenyl]phenyl]pyrimidine?
The IUPAC name of 2,4-diphenyl-6-[3-[3-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)phenyl]phenyl]pyrimidine (CID 142385241) is 2,4-diphenyl-6-[3-[3-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)phenyl]phenyl]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[3-[3-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)phenyl]phenyl]pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[3-[3-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)phenyl]phenyl]pyrimidine is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5cccnc5)c4)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-[3-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)phenyl]phenyl]pyrimidine?
The InChIKey is UBVFJARVAYEHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3/c1-4-16-36(17-5-1)48-34-49(55-51(54-48)37-18-6-2-7-19-37)41-23-13-21-39(33-41)38-20-12-22-40(32-38)44-28-14-30-47-50(44)45-27-10-11-29-46(45)52(47,42-24-8-3-9-25-42)43-26-15-31-53-35-43/h1-35H.
What are the key properties of 2,4-diphenyl-6-[3-[3-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)phenyl]phenyl]pyrimidine?
2,4-diphenyl-6-[3-[3-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)phenyl]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 2,4-diphenyl-6-[3-[3-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)phenyl]phenyl]pyrimidine is sourced from PubChem (CID 142385241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).