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

C40H27N3 — CID 142384952

IUPAC2,4-diphenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccn3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C40H27N3/c1-4-14-28(15-5-1)36-27-37(43-39(42-36)29-16-6-2-7-17-29)30-23-24-35-33(26-30)32-20-10-11-21-34(32)40(35,31-18-8-3-9-19-31)38-22-12-13-25-41-38/h1-27H
InChIKeyRQEQSCYPPVLCIM-UHFFFAOYSA-N
MW549.68 g/mol
LogP9.24
Rot. Bonds5

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

2,4-diphenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)pyrimidine (PubChem CID 142384952) has the molecular formula C40H27N3 and a molecular weight of 549.68 g/mol. Its IUPAC name is 2,4-diphenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)pyrimidine
PubChem CID142384952
Molecular FormulaC40H27N3
Molecular Weight549.68 g/mol
Exact Mass549.22
IUPAC Name2,4-diphenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccn3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C40H27N3/c1-4-14-28(15-5-1)36-27-37(43-39(42-36)29-16-6-2-7-17-29)30-23-24-35-33(26-30)32-20-10-11-21-34(32)40(35,31-18-8-3-9-19-31)38-22-12-13-25-41-38/h1-27H
InChIKeyRQEQSCYPPVLCIM-UHFFFAOYSA-N
XLogP9.24
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.68
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 134272105
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-[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
4-[4-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 146633222
2-(4-phenylphenyl)-4-(4-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146631999
4-(4-phenylphenyl)-2-pyridin-4-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 130260860
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 121450608
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine
CID 137413883
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168778038
4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine
CID 167344509
2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine
CID 142385446
2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450656

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)pyrimidine?
The IUPAC name of 2,4-diphenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)pyrimidine (CID 142384952) is 2,4-diphenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)pyrimidine is c1ccc(-c2cc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccn3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)pyrimidine?
The InChIKey is RQEQSCYPPVLCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3/c1-4-14-28(15-5-1)36-27-37(43-39(42-36)29-16-6-2-7-17-29)30-23-24-35-33(26-30)32-20-10-11-21-34(32)40(35,31-18-8-3-9-19-31)38-22-12-13-25-41-38/h1-27H.
What are the key properties of 2,4-diphenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)pyrimidine?
2,4-diphenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)pyrimidine has a molecular weight of 549.68 g/mol, XLogP of 9.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)pyrimidine is sourced from PubChem (CID 142384952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).