3-[8-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxydibenzofuran-2-yl]oxy-1,4-dimethyl-5-phenylpyrazole

C34H28N4O3 — CID 153433483

IUPAC3-[8-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxydibenzofuran-2-yl]oxy-1,4-dimethyl-5-phenylpyrazole
SMILESCc1c(Oc2ccc3oc4ccc(Oc5nn(C)c(-c6ccccc6)c5C)cc4c3c2)nn(C)c1-c1ccccc1
InChIInChI=1S/C34H28N4O3/c1-21-31(23-11-7-5-8-12-23)37(3)35-33(21)39-25-15-17-29-27(19-25)28-20-26(16-18-30(28)41-29)40-34-22(2)32(38(4)36-34)24-13-9-6-10-14-24/h5-20H,1-4H3
InChIKeyHDOCCYJTXUHLOE-UHFFFAOYSA-N
MW540.62 g/mol
LogP8.59
Rot. Bonds6

About 3-[8-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxydibenzofuran-2-yl]oxy-1,4-dimethyl-5-phenylpyrazole

3-[8-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxydibenzofuran-2-yl]oxy-1,4-dimethyl-5-phenylpyrazole (PubChem CID 153433483) has the molecular formula C34H28N4O3 and a molecular weight of 540.62 g/mol. Its IUPAC name is 3-[8-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxydibenzofuran-2-yl]oxy-1,4-dimethyl-5-phenylpyrazole.

Molecular Properties

Compound Name3-[8-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxydibenzofuran-2-yl]oxy-1,4-dimethyl-5-phenylpyrazole
PubChem CID153433483
Molecular FormulaC34H28N4O3
Molecular Weight540.62 g/mol
Exact Mass540.22
IUPAC Name3-[8-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxydibenzofuran-2-yl]oxy-1,4-dimethyl-5-phenylpyrazole
SMILESCc1c(Oc2ccc3oc4ccc(Oc5nn(C)c(-c6ccccc6)c5C)cc4c3c2)nn(C)c1-c1ccccc1
InChIInChI=1S/C34H28N4O3/c1-21-31(23-11-7-5-8-12-23)37(3)35-33(21)39-25-15-17-29-27(19-25)28-20-26(16-18-30(28)41-29)40-34-22(2)32(38(4)36-34)24-13-9-6-10-14-24/h5-20H,1-4H3
InChIKeyHDOCCYJTXUHLOE-UHFFFAOYSA-N
XLogP8.59
TPSA67.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.62
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,2,5-trimethyl-4-[8-(1,2,5-trimethylimidazol-4-yl)oxydibenzofuran-2-yl]oxyimidazole
CID 153433499
2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran
CID 90250402
3-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxy-2-methylpropanamide
CID 175760291
9-(3-dibenzofuran-2-yloxyphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 88594610
2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline
CID 3123808
5-chloro-4-dibenzofuran-2-yloxypyrimidine
CID 166218206
2-N,8-N-bis(1,5-dimethylpyrazol-3-yl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 153433414
2-phenoxybenzo[c]chromen-6-one
CID 164686095
2-(4-methoxyphenyl)-5-[8-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-4-phenyl-1H-imidazole
CID 135415841
2-(4-methoxyphenyl)-4-[8-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole
CID 3106630
2-(8-bromodibenzofuran-2-yl)oxypyridine
CID 139515976
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280

Frequently Asked Questions

What is the IUPAC name of 3-[8-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxydibenzofuran-2-yl]oxy-1,4-dimethyl-5-phenylpyrazole?
The IUPAC name of 3-[8-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxydibenzofuran-2-yl]oxy-1,4-dimethyl-5-phenylpyrazole (CID 153433483) is 3-[8-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxydibenzofuran-2-yl]oxy-1,4-dimethyl-5-phenylpyrazole.
What is the SMILES notation for 3-[8-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxydibenzofuran-2-yl]oxy-1,4-dimethyl-5-phenylpyrazole?
The canonical SMILES for 3-[8-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxydibenzofuran-2-yl]oxy-1,4-dimethyl-5-phenylpyrazole is Cc1c(Oc2ccc3oc4ccc(Oc5nn(C)c(-c6ccccc6)c5C)cc4c3c2)nn(C)c1-c1ccccc1.
What is the InChIKey of 3-[8-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxydibenzofuran-2-yl]oxy-1,4-dimethyl-5-phenylpyrazole?
The InChIKey is HDOCCYJTXUHLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N4O3/c1-21-31(23-11-7-5-8-12-23)37(3)35-33(21)39-25-15-17-29-27(19-25)28-20-26(16-18-30(28)41-29)40-34-22(2)32(38(4)36-34)24-13-9-6-10-14-24/h5-20H,1-4H3.
What are the key properties of 3-[8-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxydibenzofuran-2-yl]oxy-1,4-dimethyl-5-phenylpyrazole?
3-[8-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxydibenzofuran-2-yl]oxy-1,4-dimethyl-5-phenylpyrazole has a molecular weight of 540.62 g/mol, XLogP of 8.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxydibenzofuran-2-yl]oxy-1,4-dimethyl-5-phenylpyrazole is sourced from PubChem (CID 153433483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).