4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine

C47H32N2 — CID 121450608

IUPAC4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H32N2/c1-5-16-33(17-6-1)44-32-45(49-46(48-44)34-18-7-2-8-19-34)37-21-15-20-35(30-37)36-28-29-41-40-26-13-14-27-42(40)47(43(41)31-36,38-22-9-3-10-23-38)39-24-11-4-12-25-39/h1-32H
InChIKeyAKTVOEXSZSSFGT-UHFFFAOYSA-N
MW624.79 g/mol
LogP11.51
Rot. Bonds6

About 4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine

4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine (PubChem CID 121450608) has the molecular formula C47H32N2 and a molecular weight of 624.79 g/mol. Its IUPAC name is 4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
PubChem CID121450608
Molecular FormulaC47H32N2
Molecular Weight624.79 g/mol
Exact Mass624.26
IUPAC Name4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H32N2/c1-5-16-33(17-6-1)44-32-45(49-46(48-44)34-18-7-2-8-19-34)37-21-15-20-35(30-37)36-28-29-41-40-26-13-14-27-42(40)47(43(41)31-36,38-22-9-3-10-23-38)39-24-11-4-12-25-39/h1-32H
InChIKeyAKTVOEXSZSSFGT-UHFFFAOYSA-N
XLogP11.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.79
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 158766572
2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 121450582
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159851053
2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine
CID 130375074
2,4-diphenyl-6-(3-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylphenyl)pyrimidine
CID 155123113
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
2,4-diphenyl-6-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 130375062
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168776635
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146632493
2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine
CID 142385446
4-[3-[3-[9,9-diphenyl-3-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-diphenyl-2-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine
CID 160668603

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine (CID 121450608) is 4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine?
The InChIKey is AKTVOEXSZSSFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2/c1-5-16-33(17-6-1)44-32-45(49-46(48-44)34-18-7-2-8-19-34)37-21-15-20-35(30-37)36-28-29-41-40-26-13-14-27-42(40)47(43(41)31-36,38-22-9-3-10-23-38)39-24-11-4-12-25-39/h1-32H.
What are the key properties of 4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine?
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine has a molecular weight of 624.79 g/mol, XLogP of 11.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 121450608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).