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

C53H36N2 — CID 137413883

IUPAC2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cc5c(cc4-c4ccccc4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C53H36N2/c1-6-18-37(19-7-1)46-35-49-47(44-28-16-17-29-48(44)53(49,42-24-12-4-13-25-42)43-26-14-5-15-27-43)34-45(46)38-30-32-40(33-31-38)51-36-50(39-20-8-2-9-21-39)54-52(55-51)41-22-10-3-11-23-41/h1-36H
InChIKeyANOYFBTYHANQAX-UHFFFAOYSA-N
MW700.89 g/mol
LogP13.17
Rot. Bonds7

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

2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine (PubChem CID 137413883) has the molecular formula C53H36N2 and a molecular weight of 700.89 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine
PubChem CID137413883
Molecular FormulaC53H36N2
Molecular Weight700.89 g/mol
Exact Mass700.29
IUPAC Name2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cc5c(cc4-c4ccccc4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C53H36N2/c1-6-18-37(19-7-1)46-35-49-47(44-28-16-17-29-48(44)53(49,42-24-12-4-13-25-42)43-26-14-5-15-27-43)34-45(46)38-30-32-40(33-31-38)51-36-50(39-20-8-2-9-21-39)54-52(55-51)41-22-10-3-11-23-41/h1-36H
InChIKeyANOYFBTYHANQAX-UHFFFAOYSA-N
XLogP13.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.89
LogP ≤ 513.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146367748
2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 146367918
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]-1,3,5-triazine
CID 137413879
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
2-[3-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162099195
2-[4-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 160861810
4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 134272105
2,4-diphenyl-6-[3-[4-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine
CID 139400593
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 121450608
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-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 159302076
2,4-diphenyl-6-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 130375062

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine?
The IUPAC name of 2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine (CID 137413883) is 2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine is c1ccc(-c2cc(-c3ccc(-c4cc5c(cc4-c4ccccc4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine?
The InChIKey is ANOYFBTYHANQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2/c1-6-18-37(19-7-1)46-35-49-47(44-28-16-17-29-48(44)53(49,42-24-12-4-13-25-42)43-26-14-5-15-27-43)34-45(46)38-30-32-40(33-31-38)51-36-50(39-20-8-2-9-21-39)54-52(55-51)41-22-10-3-11-23-41/h1-36H.
What are the key properties of 2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine?
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine has a molecular weight of 700.89 g/mol, XLogP of 13.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine is sourced from PubChem (CID 137413883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).