2-[9-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]phenyl]fluoren-9-yl]-4-(4-tert-butylphenyl)pyridine

C61H63N3O — CID 163765933

IUPAC2-[9-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]phenyl]fluoren-9-yl]-4-(4-tert-butylphenyl)pyridine
SMILESCC(C)(C)c1ccc(-c2ccnc(C3(c4cccc(Oc5cc(-n6cc(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cn6)cc(C(C)(C)C)c5)c4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C61H63N3O/c1-57(2,3)44-26-24-40(25-27-44)41-28-29-62-56(32-41)61(54-22-15-13-20-52(54)53-21-14-16-23-55(53)61)45-18-17-19-50(35-45)65-51-36-48(60(10,11)12)34-49(37-51)64-39-43(38-63-64)42-30-46(58(4,5)6)33-47(31-42)59(7,8)9/h13-39H,1-12H3
InChIKeyGUJGKBXFJWZFRO-UHFFFAOYSA-N
MW854.19 g/mol
LogP15.95
Rot. Bonds7

About 2-[9-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]phenyl]fluoren-9-yl]-4-(4-tert-butylphenyl)pyridine

2-[9-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]phenyl]fluoren-9-yl]-4-(4-tert-butylphenyl)pyridine (PubChem CID 163765933) has the molecular formula C61H63N3O and a molecular weight of 854.19 g/mol. Its IUPAC name is 2-[9-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]phenyl]fluoren-9-yl]-4-(4-tert-butylphenyl)pyridine.

Molecular Properties

Compound Name2-[9-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]phenyl]fluoren-9-yl]-4-(4-tert-butylphenyl)pyridine
PubChem CID163765933
Molecular FormulaC61H63N3O
Molecular Weight854.19 g/mol
Exact Mass853.50
IUPAC Name2-[9-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]phenyl]fluoren-9-yl]-4-(4-tert-butylphenyl)pyridine
SMILESCC(C)(C)c1ccc(-c2ccnc(C3(c4cccc(Oc5cc(-n6cc(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cn6)cc(C(C)(C)C)c5)c4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C61H63N3O/c1-57(2,3)44-26-24-40(25-27-44)41-28-29-62-56(32-41)61(54-22-15-13-20-52(54)53-21-14-16-23-55(53)61)45-18-17-19-50(35-45)65-51-36-48(60(10,11)12)34-49(37-51)64-39-43(38-63-64)42-30-46(58(4,5)6)33-47(31-42)59(7,8)9/h13-39H,1-12H3
InChIKeyGUJGKBXFJWZFRO-UHFFFAOYSA-N
XLogP15.95
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.19
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[9-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]phenyl]fluoren-9-yl]-4-(4-tert-butylphenyl)pyridine with MolForge

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Related Compounds

4-tert-butyl-2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
CID 140716395
4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine
CID 159029308
1-[2-[3-[9-(4-tert-butyl-2-pyridinyl)fluoren-9-yl]phenoxy]-4-pyridinyl]-3-methyl-2H-benzimidazole
CID 168848392
4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine
CID 158341283
9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene
CID 140873472
4-tert-butyl-2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]furan-3-yl]pyridine
CID 157130498
4-phenyl-2-[2-(9-phenylfluoren-9-yl)-4-pyridinyl]-6-(3-phenylphenyl)pyridine
CID 142356444
2-[3,6-ditert-butyl-9-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
CID 140715658
2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
CID 140716419
1-[3-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3-methyl-2H-benzimidazole
CID 140715964
2-[3-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-6-phenylcarbazole
CID 163419323
2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum
CID 158881190

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]phenyl]fluoren-9-yl]-4-(4-tert-butylphenyl)pyridine?
The IUPAC name of 2-[9-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]phenyl]fluoren-9-yl]-4-(4-tert-butylphenyl)pyridine (CID 163765933) is 2-[9-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]phenyl]fluoren-9-yl]-4-(4-tert-butylphenyl)pyridine.
What is the SMILES notation for 2-[9-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]phenyl]fluoren-9-yl]-4-(4-tert-butylphenyl)pyridine?
The canonical SMILES for 2-[9-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]phenyl]fluoren-9-yl]-4-(4-tert-butylphenyl)pyridine is CC(C)(C)c1ccc(-c2ccnc(C3(c4cccc(Oc5cc(-n6cc(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cn6)cc(C(C)(C)C)c5)c4)c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of 2-[9-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]phenyl]fluoren-9-yl]-4-(4-tert-butylphenyl)pyridine?
The InChIKey is GUJGKBXFJWZFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H63N3O/c1-57(2,3)44-26-24-40(25-27-44)41-28-29-62-56(32-41)61(54-22-15-13-20-52(54)53-21-14-16-23-55(53)61)45-18-17-19-50(35-45)65-51-36-48(60(10,11)12)34-49(37-51)64-39-43(38-63-64)42-30-46(58(4,5)6)33-47(31-42)59(7,8)9/h13-39H,1-12H3.
What are the key properties of 2-[9-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]phenyl]fluoren-9-yl]-4-(4-tert-butylphenyl)pyridine?
2-[9-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]phenyl]fluoren-9-yl]-4-(4-tert-butylphenyl)pyridine has a molecular weight of 854.19 g/mol, XLogP of 15.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]phenyl]fluoren-9-yl]-4-(4-tert-butylphenyl)pyridine is sourced from PubChem (CID 163765933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).