1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole

C41H34N4 — CID 155609501

IUPAC1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole
SMILESCC1=C(C)N(C2(c3cccc(C4(c5ccn[nH]5)c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccccc32)CN1C
InChIInChI=1S/C41H34N4/c1-27-28(2)45(26-44(27)3)41(37-21-10-6-17-33(37)34-18-7-11-22-38(34)41)30-14-12-13-29(25-30)40(39-23-24-42-43-39)35-19-8-4-15-31(35)32-16-5-9-20-36(32)40/h4-25H,26H2,1-3H3,(H,42,43)
InChIKeyWBSXRNRMYJFPTB-UHFFFAOYSA-N
MW582.75 g/mol
LogP8.50
Rot. Bonds4

About 1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole

1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole (PubChem CID 155609501) has the molecular formula C41H34N4 and a molecular weight of 582.75 g/mol. Its IUPAC name is 1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole.

Molecular Properties

Compound Name1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole
PubChem CID155609501
Molecular FormulaC41H34N4
Molecular Weight582.75 g/mol
Exact Mass582.28
IUPAC Name1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole
SMILESCC1=C(C)N(C2(c3cccc(C4(c5ccn[nH]5)c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccccc32)CN1C
InChIInChI=1S/C41H34N4/c1-27-28(2)45(26-44(27)3)41(37-21-10-6-17-33(37)34-18-7-11-22-38(34)41)30-14-12-13-29(25-30)40(39-23-24-42-43-39)35-19-8-4-15-31(35)32-16-5-9-20-36(32)40/h4-25H,26H2,1-3H3,(H,42,43)
InChIKeyWBSXRNRMYJFPTB-UHFFFAOYSA-N
XLogP8.50
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
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
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
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-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazo[4,5-b]pyridine
CID 155609655
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
1-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazol-1-ium
CID 176537326
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
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
3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]imidazo[4,5-b]pyridine
CID 155105061
9-(1H-pyrazol-5-yl)-9-[3-(3,4,5-trimethylimidazole-1,3-diium-1-yl)phenyl]indeno[2,1-c]pyridine
CID 176537331

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole?
The IUPAC name of 1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole (CID 155609501) is 1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole.
What is the SMILES notation for 1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole?
The canonical SMILES for 1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole is CC1=C(C)N(C2(c3cccc(C4(c5ccn[nH]5)c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccccc32)CN1C.
What is the InChIKey of 1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole?
The InChIKey is WBSXRNRMYJFPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34N4/c1-27-28(2)45(26-44(27)3)41(37-21-10-6-17-33(37)34-18-7-11-22-38(34)41)30-14-12-13-29(25-30)40(39-23-24-42-43-39)35-19-8-4-15-31(35)32-16-5-9-20-36(32)40/h4-25H,26H2,1-3H3,(H,42,43).
What are the key properties of 1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole?
1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole has a molecular weight of 582.75 g/mol, XLogP of 8.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole is sourced from PubChem (CID 155609501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).