3-[3,6-ditert-butyl-9-[3-[3,6-ditert-butyl-9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-1-methyl-2H-imidazo[4,5-b]pyridine

C58H63N5 — CID 155609545

IUPAC3-[3,6-ditert-butyl-9-[3-[3,6-ditert-butyl-9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-1-methyl-2H-imidazo[4,5-b]pyridine
SMILESCN1CN(C2(c3cccc(C4(c5ccn[nH]5)c5ccc(C(C)(C)C)cc5-c5cc(C(C)(C)C)ccc54)c3)c3ccc(C(C)(C)C)cc3-c3cc(C(C)(C)C)ccc32)c2ncccc21
InChIInChI=1S/C58H63N5/c1-53(2,3)36-19-23-46-42(31-36)43-32-37(54(4,5)6)20-24-47(43)57(46,51-27-29-60-61-51)40-16-14-17-41(30-40)58(63-35-62(13)50-18-15-28-59-52(50)63)48-25-21-38(55(7,8)9)33-44(48)45-34-39(56(10,11)12)22-26-49(45)58/h14-34H,35H2,1-13H3,(H,60,61)
InChIKeyUTYZLLZHQYBSRX-UHFFFAOYSA-N
MW830.18 g/mol
LogP13.54
Rot. Bonds4

About 3-[3,6-ditert-butyl-9-[3-[3,6-ditert-butyl-9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-1-methyl-2H-imidazo[4,5-b]pyridine

3-[3,6-ditert-butyl-9-[3-[3,6-ditert-butyl-9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-1-methyl-2H-imidazo[4,5-b]pyridine (PubChem CID 155609545) has the molecular formula C58H63N5 and a molecular weight of 830.18 g/mol. Its IUPAC name is 3-[3,6-ditert-butyl-9-[3-[3,6-ditert-butyl-9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-1-methyl-2H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[3,6-ditert-butyl-9-[3-[3,6-ditert-butyl-9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-1-methyl-2H-imidazo[4,5-b]pyridine
PubChem CID155609545
Molecular FormulaC58H63N5
Molecular Weight830.18 g/mol
Exact Mass829.51
IUPAC Name3-[3,6-ditert-butyl-9-[3-[3,6-ditert-butyl-9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-1-methyl-2H-imidazo[4,5-b]pyridine
SMILESCN1CN(C2(c3cccc(C4(c5ccn[nH]5)c5ccc(C(C)(C)C)cc5-c5cc(C(C)(C)C)ccc54)c3)c3ccc(C(C)(C)C)cc3-c3cc(C(C)(C)C)ccc32)c2ncccc21
InChIInChI=1S/C58H63N5/c1-53(2,3)36-19-23-46-42(31-36)43-32-37(54(4,5)6)20-24-47(43)57(46,51-27-29-60-61-51)40-16-14-17-41(30-40)58(63-35-62(13)50-18-15-28-59-52(50)63)48-25-21-38(55(7,8)9)33-44(48)45-34-39(56(10,11)12)22-26-49(45)58/h14-34H,35H2,1-13H3,(H,60,61)
InChIKeyUTYZLLZHQYBSRX-UHFFFAOYSA-N
XLogP13.54
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.18
LogP ≤ 513.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3,6-ditert-butyl-9-[3-[3,6-ditert-butyl-9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-1-methyl-2H-imidazo[4,5-b]pyridine with MolForge

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Related Compounds

9-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)-9-[3-[9-(1H-pyrazol-5-yl)indeno[2,1-c]pyridin-9-yl]phenyl]indeno[2,1-c]pyridine
CID 155609553
1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine
CID 155609581
1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole
CID 155609501
3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazo[4,5-b]pyridine
CID 155609655
1-[3-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3-methyl-2H-benzimidazole
CID 140715964
9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-9-(1H-pyrazol-5-yl)indeno[2,1-b]pyridine
CID 155609606
8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155609528
3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]imidazo[4,5-b]pyridine
CID 155105061
1-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazol-1-ium
CID 176537326
8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155609646
imidazo[4,5-b]pyridin-3-yl-(2-phenylphenyl)-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]methanol
CID 155105078
2-[3,6-ditert-butyl-9-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
CID 140715658

Frequently Asked Questions

What is the IUPAC name of 3-[3,6-ditert-butyl-9-[3-[3,6-ditert-butyl-9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-1-methyl-2H-imidazo[4,5-b]pyridine?
The IUPAC name of 3-[3,6-ditert-butyl-9-[3-[3,6-ditert-butyl-9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-1-methyl-2H-imidazo[4,5-b]pyridine (CID 155609545) is 3-[3,6-ditert-butyl-9-[3-[3,6-ditert-butyl-9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-1-methyl-2H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[3,6-ditert-butyl-9-[3-[3,6-ditert-butyl-9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-1-methyl-2H-imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[3,6-ditert-butyl-9-[3-[3,6-ditert-butyl-9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-1-methyl-2H-imidazo[4,5-b]pyridine is CN1CN(C2(c3cccc(C4(c5ccn[nH]5)c5ccc(C(C)(C)C)cc5-c5cc(C(C)(C)C)ccc54)c3)c3ccc(C(C)(C)C)cc3-c3cc(C(C)(C)C)ccc32)c2ncccc21.
What is the InChIKey of 3-[3,6-ditert-butyl-9-[3-[3,6-ditert-butyl-9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-1-methyl-2H-imidazo[4,5-b]pyridine?
The InChIKey is UTYZLLZHQYBSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H63N5/c1-53(2,3)36-19-23-46-42(31-36)43-32-37(54(4,5)6)20-24-47(43)57(46,51-27-29-60-61-51)40-16-14-17-41(30-40)58(63-35-62(13)50-18-15-28-59-52(50)63)48-25-21-38(55(7,8)9)33-44(48)45-34-39(56(10,11)12)22-26-49(45)58/h14-34H,35H2,1-13H3,(H,60,61).
What are the key properties of 3-[3,6-ditert-butyl-9-[3-[3,6-ditert-butyl-9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-1-methyl-2H-imidazo[4,5-b]pyridine?
3-[3,6-ditert-butyl-9-[3-[3,6-ditert-butyl-9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-1-methyl-2H-imidazo[4,5-b]pyridine has a molecular weight of 830.18 g/mol, XLogP of 13.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,6-ditert-butyl-9-[3-[3,6-ditert-butyl-9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-1-methyl-2H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 155609545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).