2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-3-phenylimidazo[1,2-a]pyridine

C53H35N5 — CID 168835942

IUPAC2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-3-phenylimidazo[1,2-a]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5nc6ccccn6c5-c5ccccc5)ccc3-4)n2)cc1
InChIInChI=1S/C53H35N5/c1-6-18-36(19-7-1)49-48(54-47-28-16-17-33-58(47)49)39-29-31-43-44-32-30-40(52-56-50(37-20-8-2-9-21-37)55-51(57-52)38-22-10-3-11-23-38)35-46(44)53(45(43)34-39,41-24-12-4-13-25-41)42-26-14-5-15-27-42/h1-35H
InChIKeySUSJZUOBJRGSBR-UHFFFAOYSA-N
MW741.90 g/mol
LogP12.22
Rot. Bonds7

About 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-3-phenylimidazo[1,2-a]pyridine

2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-3-phenylimidazo[1,2-a]pyridine (PubChem CID 168835942) has the molecular formula C53H35N5 and a molecular weight of 741.90 g/mol. Its IUPAC name is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-3-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-3-phenylimidazo[1,2-a]pyridine
PubChem CID168835942
Molecular FormulaC53H35N5
Molecular Weight741.90 g/mol
Exact Mass741.29
IUPAC Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-3-phenylimidazo[1,2-a]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5nc6ccccn6c5-c5ccccc5)ccc3-4)n2)cc1
InChIInChI=1S/C53H35N5/c1-6-18-36(19-7-1)49-48(54-47-28-16-17-33-58(47)49)39-29-31-43-44-32-30-40(52-56-50(37-20-8-2-9-21-37)55-51(57-52)38-22-10-3-11-23-38)35-46(44)53(45(43)34-39,41-24-12-4-13-25-41)42-26-14-5-15-27-42/h1-35H
InChIKeySUSJZUOBJRGSBR-UHFFFAOYSA-N
XLogP12.22
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.90
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(9,9-diphenylfluoren-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine
CID 168835958
3-phenyl-2-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
CID 168835954
3-phenyl-2-[3-[6-phenyl-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine
CID 177296995
2-phenyl-3-[2-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine
CID 177297031
3-[4-[4-naphthalen-1-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenylimidazo[1,2-a]pyridine
CID 177296980
4-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)quinazoline
CID 177296985
2-[7-(3,5-diphenylphenyl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170441832
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 168835931
3-phenyl-2-[3-[3-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
CID 164781284
2-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)quinazoline
CID 177296967
3-phenyl-2-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
CID 168835790
2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 122416307

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-3-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-3-phenylimidazo[1,2-a]pyridine (CID 168835942) is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-3-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-3-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-3-phenylimidazo[1,2-a]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5nc6ccccn6c5-c5ccccc5)ccc3-4)n2)cc1.
What is the InChIKey of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-3-phenylimidazo[1,2-a]pyridine?
The InChIKey is SUSJZUOBJRGSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N5/c1-6-18-36(19-7-1)49-48(54-47-28-16-17-33-58(47)49)39-29-31-43-44-32-30-40(52-56-50(37-20-8-2-9-21-37)55-51(57-52)38-22-10-3-11-23-38)35-46(44)53(45(43)34-39,41-24-12-4-13-25-41)42-26-14-5-15-27-42/h1-35H.
What are the key properties of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-3-phenylimidazo[1,2-a]pyridine?
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-3-phenylimidazo[1,2-a]pyridine has a molecular weight of 741.90 g/mol, XLogP of 12.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-3-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 168835942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).