4-[9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-yl]-2,6-dipyridin-2-ylpyridine

C52H35N3 — CID 142453592

IUPAC4-[9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-yl]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2ccc(-c3cc4c(cc3-c3cc(-c5ccccn5)nc(-c5ccccn5)c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C52H35N3/c1-4-16-36(17-5-1)37-26-28-38(29-27-37)44-35-47-45(42-22-10-11-23-46(42)52(47,40-18-6-2-7-19-40)41-20-8-3-9-21-41)34-43(44)39-32-50(48-24-12-14-30-53-48)55-51(33-39)49-25-13-15-31-54-49/h1-35H
InChIKeyQOMOVWXBBVZTKL-UHFFFAOYSA-N
MW701.87 g/mol
LogP12.57
Rot. Bonds7

About 4-[9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-yl]-2,6-dipyridin-2-ylpyridine

4-[9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-yl]-2,6-dipyridin-2-ylpyridine (PubChem CID 142453592) has the molecular formula C52H35N3 and a molecular weight of 701.87 g/mol. Its IUPAC name is 4-[9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-yl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-yl]-2,6-dipyridin-2-ylpyridine
PubChem CID142453592
Molecular FormulaC52H35N3
Molecular Weight701.87 g/mol
Exact Mass701.28
IUPAC Name4-[9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-yl]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2ccc(-c3cc4c(cc3-c3cc(-c5ccccn5)nc(-c5ccccn5)c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C52H35N3/c1-4-16-36(17-5-1)37-26-28-38(29-27-37)44-35-47-45(42-22-10-11-23-46(42)52(47,40-18-6-2-7-19-40)41-20-8-3-9-21-41)34-43(44)39-32-50(48-24-12-14-30-53-48)55-51(33-39)49-25-13-15-31-54-49/h1-35H
InChIKeyQOMOVWXBBVZTKL-UHFFFAOYSA-N
XLogP12.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.87
LogP ≤ 512.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(9,9-diphenyl-2-pyridin-2-ylfluoren-3-yl)phenyl]pyridine
CID 142453488
3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-2-yl]benzonitrile
CID 142453560
2,6-dipyridin-2-yl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 166685118
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]-1,3,5-triazine
CID 137413879
4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)-2,6-dipyridin-2-ylpyridine
CID 138573850
2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-3-yl]benzonitrile
CID 142453663
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine
CID 137413883
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-[5'-(2,6-dipyridin-2-yl-4-pyridinyl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164793158
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364714
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-(9,9-diphenylfluoren-3-yl)-9-pyridin-2-yl-1,10-phenanthroline
CID 171732305

Frequently Asked Questions

What is the IUPAC name of 4-[9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-yl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-yl]-2,6-dipyridin-2-ylpyridine (CID 142453592) is 4-[9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-yl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-yl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-yl]-2,6-dipyridin-2-ylpyridine is c1ccc(-c2ccc(-c3cc4c(cc3-c3cc(-c5ccccn5)nc(-c5ccccn5)c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-yl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is QOMOVWXBBVZTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3/c1-4-16-36(17-5-1)37-26-28-38(29-27-37)44-35-47-45(42-22-10-11-23-46(42)52(47,40-18-6-2-7-19-40)41-20-8-3-9-21-41)34-43(44)39-32-50(48-24-12-14-30-53-48)55-51(33-39)49-25-13-15-31-54-49/h1-35H.
What are the key properties of 4-[9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-yl]-2,6-dipyridin-2-ylpyridine?
4-[9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-yl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 701.87 g/mol, XLogP of 12.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-yl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 142453592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).