4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine

C50H37N — CID 174327262

IUPAC4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc4-c4ccccc4)c3)ccc21
InChIInChI=1S/C50H37N/c1-50(2)46-24-13-12-23-43(46)45-31-38(26-28-47(45)50)37-21-14-22-40(29-37)44-30-39(25-27-42(44)34-15-6-3-7-16-34)41-32-48(35-17-8-4-9-18-35)51-49(33-41)36-19-10-5-11-20-36/h3-33H,1-2H3
InChIKeyPKQCEQBUTRYSCU-UHFFFAOYSA-N
MW651.85 g/mol
LogP13.39
Rot. Bonds6

About 4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine

4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine (PubChem CID 174327262) has the molecular formula C50H37N and a molecular weight of 651.85 g/mol. Its IUPAC name is 4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine
PubChem CID174327262
Molecular FormulaC50H37N
Molecular Weight651.85 g/mol
Exact Mass651.29
IUPAC Name4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc4-c4ccccc4)c3)ccc21
InChIInChI=1S/C50H37N/c1-50(2)46-24-13-12-23-43(46)45-31-38(26-28-47(45)50)37-21-14-22-40(29-37)44-30-39(25-27-42(44)34-15-6-3-7-16-34)41-32-48(35-17-8-4-9-18-35)51-49(33-41)36-19-10-5-11-20-36/h3-33H,1-2H3
InChIKeyPKQCEQBUTRYSCU-UHFFFAOYSA-N
XLogP13.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.85
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 121450695
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine
CID 161235712
4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 167344610
2-[3-[4-(9,9-dimethylfluoren-3-yl)-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174327334
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 167344491
4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168778428
2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450705
2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272050
2-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146187818
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyridine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyridine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 158944197
4-[4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5-phenylphenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168779277
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-(3,4-diphenylphenyl)-2-phenylpyrimidine
CID 168778323

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine (CID 174327262) is 4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine is CC1(C)c2ccccc2-c2cc(-c3cccc(-c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc4-c4ccccc4)c3)ccc21.
What is the InChIKey of 4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine?
The InChIKey is PKQCEQBUTRYSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N/c1-50(2)46-24-13-12-23-43(46)45-31-38(26-28-47(45)50)37-21-14-22-40(29-37)44-30-39(25-27-42(44)34-15-6-3-7-16-34)41-32-48(35-17-8-4-9-18-35)51-49(33-41)36-19-10-5-11-20-36/h3-33H,1-2H3.
What are the key properties of 4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine?
4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine has a molecular weight of 651.85 g/mol, XLogP of 13.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 174327262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).