2-chloro-9,10-bis(4-methoxyphenyl)anthracene

C28H21ClO2 — CID 634627

IUPAC2-chloro-9,10-bis(4-methoxyphenyl)anthracene
SMILESCOc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3cc(Cl)ccc23)cc1
InChIInChI=1S/C28H21ClO2/c1-30-21-12-7-18(8-13-21)27-23-5-3-4-6-24(23)28(19-9-14-22(31-2)15-10-19)26-17-20(29)11-16-25(26)27/h3-17H,1-2H3
InChIKeyONASMBRWDSADQY-UHFFFAOYSA-N
MW424.93 g/mol
LogP8.00
Rot. Bonds4

About 2-chloro-9,10-bis(4-methoxyphenyl)anthracene

2-chloro-9,10-bis(4-methoxyphenyl)anthracene (PubChem CID 634627) has the molecular formula C28H21ClO2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 2-chloro-9,10-bis(4-methoxyphenyl)anthracene.

Molecular Properties

Compound Name2-chloro-9,10-bis(4-methoxyphenyl)anthracene
PubChem CID634627
Molecular FormulaC28H21ClO2
Molecular Weight424.93 g/mol
Exact Mass424.12
IUPAC Name2-chloro-9,10-bis(4-methoxyphenyl)anthracene
SMILESCOc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3cc(Cl)ccc23)cc1
InChIInChI=1S/C28H21ClO2/c1-30-21-12-7-18(8-13-21)27-23-5-3-4-6-24(23)28(19-9-14-22(31-2)15-10-19)26-17-20(29)11-16-25(26)27/h3-17H,1-2H3
InChIKeyONASMBRWDSADQY-UHFFFAOYSA-N
XLogP8.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.93
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9,10-Di-p-anisylanthracene
CID 374567
6,6'-Dimethoxy-2,2'-binaphthalenyl
CID 349174
3,6,11,14-Tetramethoxydibenzo(g,p)chrysene
CID 43237
2-Methoxy-6-[3-methoxy-5-(6-methoxy-2-naphthyl)phenyl]naphthalene
CID 59443492
2-Methoxybenzo[c]phenanthrene
CID 263303
1,8-Dichloro-9-methoxy-anthracene
CID 3373226
2-Chloro-9,10-bis(4-ethoxyphenyl)anthracene
CID 21715448
1,3-bis(4-chlorophenyl)-1H-benzo[f]chromene
CID 142767655
1-(4-chlorophenyl)-3-(4-methylphenyl)-1H-benzo[f]chromene
CID 142767658
10,23-Dichloro-16-methoxyhexacyclo[13.9.3.12,6.09,14.018,26.021,25]octacosa-1(25),2,4,6(28),9,11,13,15,17,19,21,23,26-tridecaene-3,13,24-triol
CID 101938858
BENZO(a)PYRENE, 3-METHOXY-
CID 44382
9,10-Bis(2-methoxyphenyl)anthracene
CID 633718

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9,10-bis(4-methoxyphenyl)anthracene?
The IUPAC name of 2-chloro-9,10-bis(4-methoxyphenyl)anthracene (CID 634627) is 2-chloro-9,10-bis(4-methoxyphenyl)anthracene.
What is the SMILES notation for 2-chloro-9,10-bis(4-methoxyphenyl)anthracene?
The canonical SMILES for 2-chloro-9,10-bis(4-methoxyphenyl)anthracene is COc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3cc(Cl)ccc23)cc1.
What is the InChIKey of 2-chloro-9,10-bis(4-methoxyphenyl)anthracene?
The InChIKey is ONASMBRWDSADQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClO2/c1-30-21-12-7-18(8-13-21)27-23-5-3-4-6-24(23)28(19-9-14-22(31-2)15-10-19)26-17-20(29)11-16-25(26)27/h3-17H,1-2H3.
What are the key properties of 2-chloro-9,10-bis(4-methoxyphenyl)anthracene?
2-chloro-9,10-bis(4-methoxyphenyl)anthracene has a molecular weight of 424.93 g/mol, XLogP of 8.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9,10-bis(4-methoxyphenyl)anthracene is sourced from PubChem (CID 634627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).