2,7-dibromo-9,10-dimethoxy-9-methyl-10-(4-methylphenyl)phenanthrene

C24H22Br2O2 — CID 58833525

IUPAC2,7-dibromo-9,10-dimethoxy-9-methyl-10-(4-methylphenyl)phenanthrene
SMILESCOC1(C)c2cc(Br)ccc2-c2ccc(Br)cc2C1(OC)c1ccc(C)cc1
InChIInChI=1S/C24H22Br2O2/c1-15-5-7-16(8-6-15)24(28-4)22-14-18(26)10-12-20(22)19-11-9-17(25)13-21(19)23(24,2)27-3/h5-14H,1-4H3
InChIKeyZTUHHZHNBRHMTP-UHFFFAOYSA-N
MW502.25 g/mol
LogP6.95
Rot. Bonds3

About 2,7-dibromo-9,10-dimethoxy-9-methyl-10-(4-methylphenyl)phenanthrene

2,7-dibromo-9,10-dimethoxy-9-methyl-10-(4-methylphenyl)phenanthrene (PubChem CID 58833525) has the molecular formula C24H22Br2O2 and a molecular weight of 502.25 g/mol. Its IUPAC name is 2,7-dibromo-9,10-dimethoxy-9-methyl-10-(4-methylphenyl)phenanthrene.

Molecular Properties

Compound Name2,7-dibromo-9,10-dimethoxy-9-methyl-10-(4-methylphenyl)phenanthrene
PubChem CID58833525
Molecular FormulaC24H22Br2O2
Molecular Weight502.25 g/mol
Exact Mass500.00
IUPAC Name2,7-dibromo-9,10-dimethoxy-9-methyl-10-(4-methylphenyl)phenanthrene
SMILESCOC1(C)c2cc(Br)ccc2-c2ccc(Br)cc2C1(OC)c1ccc(C)cc1
InChIInChI=1S/C24H22Br2O2/c1-15-5-7-16(8-6-15)24(28-4)22-14-18(26)10-12-20(22)19-11-9-17(25)13-21(19)23(24,2)27-3/h5-14H,1-4H3
InChIKeyZTUHHZHNBRHMTP-UHFFFAOYSA-N
XLogP6.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.25
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,10-dimethoxy-9-methyl-10-(4-methylphenyl)phenanthrene?
The IUPAC name of 2,7-dibromo-9,10-dimethoxy-9-methyl-10-(4-methylphenyl)phenanthrene (CID 58833525) is 2,7-dibromo-9,10-dimethoxy-9-methyl-10-(4-methylphenyl)phenanthrene.
What is the SMILES notation for 2,7-dibromo-9,10-dimethoxy-9-methyl-10-(4-methylphenyl)phenanthrene?
The canonical SMILES for 2,7-dibromo-9,10-dimethoxy-9-methyl-10-(4-methylphenyl)phenanthrene is COC1(C)c2cc(Br)ccc2-c2ccc(Br)cc2C1(OC)c1ccc(C)cc1.
What is the InChIKey of 2,7-dibromo-9,10-dimethoxy-9-methyl-10-(4-methylphenyl)phenanthrene?
The InChIKey is ZTUHHZHNBRHMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Br2O2/c1-15-5-7-16(8-6-15)24(28-4)22-14-18(26)10-12-20(22)19-11-9-17(25)13-21(19)23(24,2)27-3/h5-14H,1-4H3.
What are the key properties of 2,7-dibromo-9,10-dimethoxy-9-methyl-10-(4-methylphenyl)phenanthrene?
2,7-dibromo-9,10-dimethoxy-9-methyl-10-(4-methylphenyl)phenanthrene has a molecular weight of 502.25 g/mol, XLogP of 6.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9,10-dimethoxy-9-methyl-10-(4-methylphenyl)phenanthrene is sourced from PubChem (CID 58833525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).