3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazo[4,5-b]pyridine

C41H27N5 — CID 155609655

IUPAC3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazo[4,5-b]pyridine
SMILESc1cc(C2(c3ccn[nH]3)c3ccccc3-c3ccccc32)cc(C2(n3cnc4cccnc43)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C41H27N5/c1-5-17-33-29(13-1)30-14-2-6-18-34(30)40(33,38-22-24-44-45-38)27-11-9-12-28(25-27)41(46-26-43-37-21-10-23-42-39(37)46)35-19-7-3-15-31(35)32-16-4-8-20-36(32)41/h1-26H,(H,44,45)
InChIKeyKHSFDPDBVBMXMZ-UHFFFAOYSA-N
MW589.70 g/mol
LogP8.34
Rot. Bonds4

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

3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazo[4,5-b]pyridine (PubChem CID 155609655) has the molecular formula C41H27N5 and a molecular weight of 589.70 g/mol. Its IUPAC name is 3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazo[4,5-b]pyridine
PubChem CID155609655
Molecular FormulaC41H27N5
Molecular Weight589.70 g/mol
Exact Mass589.23
IUPAC Name3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazo[4,5-b]pyridine
SMILESc1cc(C2(c3ccn[nH]3)c3ccccc3-c3ccccc32)cc(C2(n3cnc4cccnc43)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C41H27N5/c1-5-17-33-29(13-1)30-14-2-6-18-34(30)40(33,38-22-24-44-45-38)27-11-9-12-28(25-27)41(46-26-43-37-21-10-23-42-39(37)46)35-19-7-3-15-31(35)32-16-4-8-20-36(32)41/h1-26H,(H,44,45)
InChIKeyKHSFDPDBVBMXMZ-UHFFFAOYSA-N
XLogP8.34
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 58.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]imidazo[4,5-b]pyridine
CID 155105061
imidazo[4,5-b]pyridin-3-yl-(2-phenylphenyl)-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]methanol
CID 155105078
1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole
CID 155609501
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-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazol-1-ium
CID 176537326
1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine
CID 155609581
9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-9-(1H-pyrazol-5-yl)indeno[2,1-b]pyridine
CID 155609606
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
9-(1H-pyrazol-5-yl)-9-[3-(3,4,5-trimethylimidazole-1,3-diium-1-yl)phenyl]indeno[2,1-b]pyridine
CID 176537328
9-(3-methylimidazole-1,3-diium-1-yl)-9-[3-[9-(1H-pyrazol-5-yl)indeno[2,1-c]pyridin-9-yl]phenyl]indeno[2,1-c]pyridine
CID 176537336
9-(1H-pyrazol-5-yl)-9-[3-[9-(3,4,5-trimethylimidazole-1,3-diium-1-yl)indeno[2,1-c]pyridin-9-yl]phenyl]indeno[2,1-c]pyridine
CID 176537359
2-[9-[3-[9-[3-[9-(3,4-dimethyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine
CID 176592362

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazo[4,5-b]pyridine (CID 155609655) is 3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazo[4,5-b]pyridine is c1cc(C2(c3ccn[nH]3)c3ccccc3-c3ccccc32)cc(C2(n3cnc4cccnc43)c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazo[4,5-b]pyridine?
The InChIKey is KHSFDPDBVBMXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N5/c1-5-17-33-29(13-1)30-14-2-6-18-34(30)40(33,38-22-24-44-45-38)27-11-9-12-28(25-27)41(46-26-43-37-21-10-23-42-39(37)46)35-19-7-3-15-31(35)32-16-4-8-20-36(32)41/h1-26H,(H,44,45).
What are the key properties of 3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazo[4,5-b]pyridine?
3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazo[4,5-b]pyridine has a molecular weight of 589.70 g/mol, XLogP of 8.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 155609655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).