2-[4-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methyl]phenyl]-7,9,9-trimethylfluorene

C38H36O2 — CID 171403470

IUPAC2-[4-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methyl]phenyl]-7,9,9-trimethylfluorene
SMILESCOc1ccc(C(c2ccc(C)cc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(C)ccc3-4)cc2)c(OC)c1
InChIInChI=1S/C38H36O2/c1-24-7-10-27(11-8-24)37(33-20-17-30(39-5)23-36(33)40-6)28-14-12-26(13-15-28)29-16-19-32-31-18-9-25(2)21-34(31)38(3,4)35(32)22-29/h7-23,37H,1-6H3
InChIKeyAGWJDYIOTSEKHC-UHFFFAOYSA-N
MW524.70 g/mol
LogP9.47
Rot. Bonds6

About 2-[4-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methyl]phenyl]-7,9,9-trimethylfluorene

2-[4-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methyl]phenyl]-7,9,9-trimethylfluorene (PubChem CID 171403470) has the molecular formula C38H36O2 and a molecular weight of 524.70 g/mol. Its IUPAC name is 2-[4-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methyl]phenyl]-7,9,9-trimethylfluorene.

Molecular Properties

Compound Name2-[4-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methyl]phenyl]-7,9,9-trimethylfluorene
PubChem CID171403470
Molecular FormulaC38H36O2
Molecular Weight524.70 g/mol
Exact Mass524.27
IUPAC Name2-[4-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methyl]phenyl]-7,9,9-trimethylfluorene
SMILESCOc1ccc(C(c2ccc(C)cc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(C)ccc3-4)cc2)c(OC)c1
InChIInChI=1S/C38H36O2/c1-24-7-10-27(11-8-24)37(33-20-17-30(39-5)23-36(33)40-6)28-14-12-26(13-15-28)29-16-19-32-31-18-9-25(2)21-34(31)38(3,4)35(32)22-29/h7-23,37H,1-6H3
InChIKeyAGWJDYIOTSEKHC-UHFFFAOYSA-N
XLogP9.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.70
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methyl]phenyl]-7,9,9-trimethylfluorene?
The IUPAC name of 2-[4-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methyl]phenyl]-7,9,9-trimethylfluorene (CID 171403470) is 2-[4-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methyl]phenyl]-7,9,9-trimethylfluorene.
What is the SMILES notation for 2-[4-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methyl]phenyl]-7,9,9-trimethylfluorene?
The canonical SMILES for 2-[4-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methyl]phenyl]-7,9,9-trimethylfluorene is COc1ccc(C(c2ccc(C)cc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(C)ccc3-4)cc2)c(OC)c1.
What is the InChIKey of 2-[4-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methyl]phenyl]-7,9,9-trimethylfluorene?
The InChIKey is AGWJDYIOTSEKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36O2/c1-24-7-10-27(11-8-24)37(33-20-17-30(39-5)23-36(33)40-6)28-14-12-26(13-15-28)29-16-19-32-31-18-9-25(2)21-34(31)38(3,4)35(32)22-29/h7-23,37H,1-6H3.
What are the key properties of 2-[4-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methyl]phenyl]-7,9,9-trimethylfluorene?
2-[4-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methyl]phenyl]-7,9,9-trimethylfluorene has a molecular weight of 524.70 g/mol, XLogP of 9.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methyl]phenyl]-7,9,9-trimethylfluorene is sourced from PubChem (CID 171403470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).