2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine

C56H37N5 — CID 146367918

IUPAC2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c(cc3-c3nc(-c5ccccc5)nc(-c5ccccc5)n3)-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C56H37N5/c1-7-21-38(22-8-1)50-37-51(39-23-9-2-10-24-39)58-54(57-50)47-36-49-45(44-33-19-20-34-48(44)56(49,42-29-15-5-16-30-42)43-31-17-6-18-32-43)35-46(47)55-60-52(40-25-11-3-12-26-40)59-53(61-55)41-27-13-4-14-28-41/h1-37H
InChIKeyJOJDWYNPIDLFBO-UHFFFAOYSA-N
MW779.95 g/mol
LogP13.03
Rot. Bonds8

About 2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine

2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 146367918) has the molecular formula C56H37N5 and a molecular weight of 779.95 g/mol. Its IUPAC name is 2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID146367918
Molecular FormulaC56H37N5
Molecular Weight779.95 g/mol
Exact Mass779.30
IUPAC Name2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c(cc3-c3nc(-c5ccccc5)nc(-c5ccccc5)n3)-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C56H37N5/c1-7-21-38(22-8-1)50-37-51(39-23-9-2-10-24-39)58-54(57-50)47-36-49-45(44-33-19-20-34-48(44)56(49,42-29-15-5-16-30-42)43-31-17-6-18-32-43)35-46(47)55-60-52(40-25-11-3-12-26-40)59-53(61-55)41-27-13-4-14-28-41/h1-37H
InChIKeyJOJDWYNPIDLFBO-UHFFFAOYSA-N
XLogP13.03
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.95
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine
CID 137413883
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-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]-1,3,5-triazine
CID 137413879
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
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 121450608
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-[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-[3-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 146367936
4-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 146367937

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine (CID 146367918) is 2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c(cc3-c3nc(-c5ccccc5)nc(-c5ccccc5)n3)-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is JOJDWYNPIDLFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N5/c1-7-21-38(22-8-1)50-37-51(39-23-9-2-10-24-39)58-54(57-50)47-36-49-45(44-33-19-20-34-48(44)56(49,42-29-15-5-16-30-42)43-31-17-6-18-32-43)35-46(47)55-60-52(40-25-11-3-12-26-40)59-53(61-55)41-27-13-4-14-28-41/h1-37H.
What are the key properties of 2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine?
2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 779.95 g/mol, XLogP of 13.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 146367918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).