3,5-bis(4-methylphenyl)-4H-pyrazole;1-methyl-4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]benzene

C65H60N2 — CID 159594740

IUPAC3,5-bis(4-methylphenyl)-4H-pyrazole;1-methyl-4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]benzene
SMILESCc1ccc(C2=CC=C(C3=CC=C(C4=CC=C(c5ccc(C)cc5)C4)C3)C2)cc1.Cc1ccc(C2=CC=C(c3ccc(C)cc3)C2)cc1.Cc1ccc(C2=NN=C(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C29H26.C19H18.C17H16N2/c1-20-3-7-22(8-4-20)24-11-13-26(17-24)28-15-16-29(19-28)27-14-12-25(18-27)23-9-5-21(2)6-10-23;1-14-3-7-16(8-4-14)18-11-12-19(13-18)17-9-5-15(2)6-10-17;1-12-3-7-14(8-4-12)16-11-17(19-18-16)15-9-5-13(2)6-10-15/h3-16H,17-19H2,1-2H3;3-12H,13H2,1-2H3;3-10H,11H2,1-2H3
InChIKeyMKRPXLXDRLQBIR-UHFFFAOYSA-N
MW869.21 g/mol
LogP16.76
Rot. Bonds8

About 3,5-bis(4-methylphenyl)-4H-pyrazole;1-methyl-4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]benzene

3,5-bis(4-methylphenyl)-4H-pyrazole;1-methyl-4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]benzene (PubChem CID 159594740) has the molecular formula C65H60N2 and a molecular weight of 869.21 g/mol. Its IUPAC name is 3,5-bis(4-methylphenyl)-4H-pyrazole;1-methyl-4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]benzene.

Molecular Properties

Compound Name3,5-bis(4-methylphenyl)-4H-pyrazole;1-methyl-4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]benzene
PubChem CID159594740
Molecular FormulaC65H60N2
Molecular Weight869.21 g/mol
Exact Mass868.48
IUPAC Name3,5-bis(4-methylphenyl)-4H-pyrazole;1-methyl-4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]benzene
SMILESCc1ccc(C2=CC=C(C3=CC=C(C4=CC=C(c5ccc(C)cc5)C4)C3)C2)cc1.Cc1ccc(C2=CC=C(c3ccc(C)cc3)C2)cc1.Cc1ccc(C2=NN=C(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C29H26.C19H18.C17H16N2/c1-20-3-7-22(8-4-20)24-11-13-26(17-24)28-15-16-29(19-28)27-14-12-25(18-27)23-9-5-21(2)6-10-23;1-14-3-7-16(8-4-14)18-11-12-19(13-18)17-9-5-15(2)6-10-17;1-12-3-7-14(8-4-12)16-11-17(19-18-16)15-9-5-13(2)6-10-15/h3-16H,17-19H2,1-2H3;3-12H,13H2,1-2H3;3-10H,11H2,1-2H3
InChIKeyMKRPXLXDRLQBIR-UHFFFAOYSA-N
XLogP16.76
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.21
LogP ≤ 516.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5-bis(4-methylphenyl)-4H-pyrazole;1-methyl-4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]benzene with MolForge

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Related Compounds

ethane;3-(4-methylphenyl)-5-phenyl-4H-pyrazole
CID 91231324
5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 616747
3-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-4H-pyrazol-3-yl]phenyl]-4H-pyrazole
CID 20739257
2-methyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrole
CID 102142891
5-(4-methylphenyl)-2-nitroso-3,4-dihydropyrazole
CID 3303491
5-(4-aminophenyl)-4H-pyrazol-3-amine
CID 86295046
5-(2-methoxyphenyl)-3,7-bis(4-methylphenyl)-4H-diazepine
CID 3757413
3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole
CID 13196080
1-methyl-3-[3-methyl-5-(4-methylphenyl)phenyl]-5-(4-methylphenyl)benzene
CID 58892368
1,4-dimethylcyclohexa-1,3-diene;1,4-xylene
CID 142004310
(4-methylphenyl)-[4-(4-methylphenyl)azanidylphenyl]azanide;bis(yttrium)
CID 140602040
6-(4-methylphenyl)-4-phenyl-3-(4-phenylphenyl)-5H-1,2,4-triazine
CID 163483032

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-methylphenyl)-4H-pyrazole;1-methyl-4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]benzene?
The IUPAC name of 3,5-bis(4-methylphenyl)-4H-pyrazole;1-methyl-4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]benzene (CID 159594740) is 3,5-bis(4-methylphenyl)-4H-pyrazole;1-methyl-4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]benzene.
What is the SMILES notation for 3,5-bis(4-methylphenyl)-4H-pyrazole;1-methyl-4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]benzene?
The canonical SMILES for 3,5-bis(4-methylphenyl)-4H-pyrazole;1-methyl-4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]benzene is Cc1ccc(C2=CC=C(C3=CC=C(C4=CC=C(c5ccc(C)cc5)C4)C3)C2)cc1.Cc1ccc(C2=CC=C(c3ccc(C)cc3)C2)cc1.Cc1ccc(C2=NN=C(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 3,5-bis(4-methylphenyl)-4H-pyrazole;1-methyl-4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]benzene?
The InChIKey is MKRPXLXDRLQBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26.C19H18.C17H16N2/c1-20-3-7-22(8-4-20)24-11-13-26(17-24)28-15-16-29(19-28)27-14-12-25(18-27)23-9-5-21(2)6-10-23;1-14-3-7-16(8-4-14)18-11-12-19(13-18)17-9-5-15(2)6-10-17;1-12-3-7-14(8-4-12)16-11-17(19-18-16)15-9-5-13(2)6-10-15/h3-16H,17-19H2,1-2H3;3-12H,13H2,1-2H3;3-10H,11H2,1-2H3.
What are the key properties of 3,5-bis(4-methylphenyl)-4H-pyrazole;1-methyl-4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]benzene?
3,5-bis(4-methylphenyl)-4H-pyrazole;1-methyl-4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]benzene has a molecular weight of 869.21 g/mol, XLogP of 16.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-methylphenyl)-4H-pyrazole;1-methyl-4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]benzene is sourced from PubChem (CID 159594740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).