4-(4,5-dimethylpyrazol-1-yl)-1,3,5-triphenylpyrazole;4-(5-methylpyrazol-1-yl)-1,3,5-triphenylpyrazole;1-(2,3,4,5,6-pentamethylphenyl)naphthalene

C72H64N8 — CID 123620754

IUPAC4-(4,5-dimethylpyrazol-1-yl)-1,3,5-triphenylpyrazole;4-(5-methylpyrazol-1-yl)-1,3,5-triphenylpyrazole;1-(2,3,4,5,6-pentamethylphenyl)naphthalene
SMILESCc1c(C)c(C)c(-c2cccc3ccccc23)c(C)c1C.Cc1ccnn1-c1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1.Cc1cnn(-c2c(-c3ccccc3)nn(-c3ccccc3)c2-c2ccccc2)c1C
InChIInChI=1S/C26H22N4.C25H20N4.C21H22/c1-19-18-27-29(20(19)2)26-24(21-12-6-3-7-13-21)28-30(23-16-10-5-11-17-23)25(26)22-14-8-4-9-15-22;1-19-17-18-26-28(19)25-23(20-11-5-2-6-12-20)27-29(22-15-9-4-10-16-22)24(25)21-13-7-3-8-14-21;1-13-14(2)16(4)21(17(5)15(13)3)20-12-8-10-18-9-6-7-11-19(18)20/h3-18H,1-2H3;2-18H,1H3;6-12H,1-5H3
InChIKeyVQALNXHTZNYYAJ-UHFFFAOYSA-N
MW1041.36 g/mol
LogP17.76
Rot. Bonds9

About 4-(4,5-dimethylpyrazol-1-yl)-1,3,5-triphenylpyrazole;4-(5-methylpyrazol-1-yl)-1,3,5-triphenylpyrazole;1-(2,3,4,5,6-pentamethylphenyl)naphthalene

4-(4,5-dimethylpyrazol-1-yl)-1,3,5-triphenylpyrazole;4-(5-methylpyrazol-1-yl)-1,3,5-triphenylpyrazole;1-(2,3,4,5,6-pentamethylphenyl)naphthalene (PubChem CID 123620754) has the molecular formula C72H64N8 and a molecular weight of 1041.36 g/mol. Its IUPAC name is 4-(4,5-dimethylpyrazol-1-yl)-1,3,5-triphenylpyrazole;4-(5-methylpyrazol-1-yl)-1,3,5-triphenylpyrazole;1-(2,3,4,5,6-pentamethylphenyl)naphthalene.

Molecular Properties

Compound Name4-(4,5-dimethylpyrazol-1-yl)-1,3,5-triphenylpyrazole;4-(5-methylpyrazol-1-yl)-1,3,5-triphenylpyrazole;1-(2,3,4,5,6-pentamethylphenyl)naphthalene
PubChem CID123620754
Molecular FormulaC72H64N8
Molecular Weight1041.36 g/mol
Exact Mass1040.53
IUPAC Name4-(4,5-dimethylpyrazol-1-yl)-1,3,5-triphenylpyrazole;4-(5-methylpyrazol-1-yl)-1,3,5-triphenylpyrazole;1-(2,3,4,5,6-pentamethylphenyl)naphthalene
SMILESCc1c(C)c(C)c(-c2cccc3ccccc23)c(C)c1C.Cc1ccnn1-c1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1.Cc1cnn(-c2c(-c3ccccc3)nn(-c3ccccc3)c2-c2ccccc2)c1C
InChIInChI=1S/C26H22N4.C25H20N4.C21H22/c1-19-18-27-29(20(19)2)26-24(21-12-6-3-7-13-21)28-30(23-16-10-5-11-17-23)25(26)22-14-8-4-9-15-22;1-19-17-18-26-28(19)25-23(20-11-5-2-6-12-20)27-29(22-15-9-4-10-16-22)24(25)21-13-7-3-8-14-21;1-13-14(2)16(4)21(17(5)15(13)3)20-12-8-10-18-9-6-7-11-19(18)20/h3-18H,1-2H3;2-18H,1H3;6-12H,1-5H3
InChIKeyVQALNXHTZNYYAJ-UHFFFAOYSA-N
XLogP17.76
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.36
LogP ≤ 517.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(4,5-dimethylpyrazol-1-yl)-1,3,5-triphenylpyrazole;4-(5-methylpyrazol-1-yl)-1,3,5-triphenylpyrazole;1-(2,3,4,5,6-pentamethylphenyl)naphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylpyrazol-1-yl)-1,3,5-triphenylpyrazole;4-(5-methylpyrazol-1-yl)-1,3,5-triphenylpyrazole;1-(2,3,4,5,6-pentamethylphenyl)naphthalene?
The IUPAC name of 4-(4,5-dimethylpyrazol-1-yl)-1,3,5-triphenylpyrazole;4-(5-methylpyrazol-1-yl)-1,3,5-triphenylpyrazole;1-(2,3,4,5,6-pentamethylphenyl)naphthalene (CID 123620754) is 4-(4,5-dimethylpyrazol-1-yl)-1,3,5-triphenylpyrazole;4-(5-methylpyrazol-1-yl)-1,3,5-triphenylpyrazole;1-(2,3,4,5,6-pentamethylphenyl)naphthalene.
What is the SMILES notation for 4-(4,5-dimethylpyrazol-1-yl)-1,3,5-triphenylpyrazole;4-(5-methylpyrazol-1-yl)-1,3,5-triphenylpyrazole;1-(2,3,4,5,6-pentamethylphenyl)naphthalene?
The canonical SMILES for 4-(4,5-dimethylpyrazol-1-yl)-1,3,5-triphenylpyrazole;4-(5-methylpyrazol-1-yl)-1,3,5-triphenylpyrazole;1-(2,3,4,5,6-pentamethylphenyl)naphthalene is Cc1c(C)c(C)c(-c2cccc3ccccc23)c(C)c1C.Cc1ccnn1-c1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1.Cc1cnn(-c2c(-c3ccccc3)nn(-c3ccccc3)c2-c2ccccc2)c1C.
What is the InChIKey of 4-(4,5-dimethylpyrazol-1-yl)-1,3,5-triphenylpyrazole;4-(5-methylpyrazol-1-yl)-1,3,5-triphenylpyrazole;1-(2,3,4,5,6-pentamethylphenyl)naphthalene?
The InChIKey is VQALNXHTZNYYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4.C25H20N4.C21H22/c1-19-18-27-29(20(19)2)26-24(21-12-6-3-7-13-21)28-30(23-16-10-5-11-17-23)25(26)22-14-8-4-9-15-22;1-19-17-18-26-28(19)25-23(20-11-5-2-6-12-20)27-29(22-15-9-4-10-16-22)24(25)21-13-7-3-8-14-21;1-13-14(2)16(4)21(17(5)15(13)3)20-12-8-10-18-9-6-7-11-19(18)20/h3-18H,1-2H3;2-18H,1H3;6-12H,1-5H3.
What are the key properties of 4-(4,5-dimethylpyrazol-1-yl)-1,3,5-triphenylpyrazole;4-(5-methylpyrazol-1-yl)-1,3,5-triphenylpyrazole;1-(2,3,4,5,6-pentamethylphenyl)naphthalene?
4-(4,5-dimethylpyrazol-1-yl)-1,3,5-triphenylpyrazole;4-(5-methylpyrazol-1-yl)-1,3,5-triphenylpyrazole;1-(2,3,4,5,6-pentamethylphenyl)naphthalene has a molecular weight of 1041.36 g/mol, XLogP of 17.76, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylpyrazol-1-yl)-1,3,5-triphenylpyrazole;4-(5-methylpyrazol-1-yl)-1,3,5-triphenylpyrazole;1-(2,3,4,5,6-pentamethylphenyl)naphthalene is sourced from PubChem (CID 123620754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).