1,5-dichloro-9,10-bis(3-methoxyphenyl)anthracene

C28H20Cl2O2 — CID 10790094

IUPAC1,5-dichloro-9,10-bis(3-methoxyphenyl)anthracene
SMILESCOc1cccc(-c2c3cccc(Cl)c3c(-c3cccc(OC)c3)c3cccc(Cl)c23)c1
InChIInChI=1S/C28H20Cl2O2/c1-31-19-9-3-7-17(15-19)25-21-11-5-14-24(30)28(21)26(18-8-4-10-20(16-18)32-2)22-12-6-13-23(29)27(22)25/h3-16H,1-2H3
InChIKeyVYCZOUYQDSIHPQ-UHFFFAOYSA-N
MW459.37 g/mol
LogP8.65
Rot. Bonds4

About 1,5-dichloro-9,10-bis(3-methoxyphenyl)anthracene

1,5-dichloro-9,10-bis(3-methoxyphenyl)anthracene (PubChem CID 10790094) has the molecular formula C28H20Cl2O2 and a molecular weight of 459.37 g/mol. Its IUPAC name is 1,5-dichloro-9,10-bis(3-methoxyphenyl)anthracene.

Molecular Properties

Compound Name1,5-dichloro-9,10-bis(3-methoxyphenyl)anthracene
PubChem CID10790094
Molecular FormulaC28H20Cl2O2
Molecular Weight459.37 g/mol
Exact Mass458.08
IUPAC Name1,5-dichloro-9,10-bis(3-methoxyphenyl)anthracene
SMILESCOc1cccc(-c2c3cccc(Cl)c3c(-c3cccc(OC)c3)c3cccc(Cl)c23)c1
InChIInChI=1S/C28H20Cl2O2/c1-31-19-9-3-7-17(15-19)25-21-11-5-14-24(30)28(21)26(18-8-4-10-20(16-18)32-2)22-12-6-13-23(29)27(22)25/h3-16H,1-2H3
InChIKeyVYCZOUYQDSIHPQ-UHFFFAOYSA-N
XLogP8.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.37
LogP ≤ 58.65
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

1,3,5-trichloro-2-(3-methoxyphenyl)benzene
CID 57304526
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
2-(3-methoxyphenyl)-1,3,5-trimethylbenzene
CID 66916575
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
4-chloro-2-(3-methoxyphenyl)benzene-1,3-diol
CID 175727272
4-N-[9,10-bis(3-methoxyphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59211215
azane;1,3-dimethoxybenzene
CID 70210283
2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene
CID 91071120
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
2-chloro-1-(3-methoxyphenyl)-4-phenylbenzene
CID 173255261
9-(4-bromophenyl)-1,5-dichloro-10-phenylanthracene
CID 160714288
3,4-bis(3-methoxyphenyl)isoquinoline
CID 177415076

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-9,10-bis(3-methoxyphenyl)anthracene?
The IUPAC name of 1,5-dichloro-9,10-bis(3-methoxyphenyl)anthracene (CID 10790094) is 1,5-dichloro-9,10-bis(3-methoxyphenyl)anthracene.
What is the SMILES notation for 1,5-dichloro-9,10-bis(3-methoxyphenyl)anthracene?
The canonical SMILES for 1,5-dichloro-9,10-bis(3-methoxyphenyl)anthracene is COc1cccc(-c2c3cccc(Cl)c3c(-c3cccc(OC)c3)c3cccc(Cl)c23)c1.
What is the InChIKey of 1,5-dichloro-9,10-bis(3-methoxyphenyl)anthracene?
The InChIKey is VYCZOUYQDSIHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl2O2/c1-31-19-9-3-7-17(15-19)25-21-11-5-14-24(30)28(21)26(18-8-4-10-20(16-18)32-2)22-12-6-13-23(29)27(22)25/h3-16H,1-2H3.
What are the key properties of 1,5-dichloro-9,10-bis(3-methoxyphenyl)anthracene?
1,5-dichloro-9,10-bis(3-methoxyphenyl)anthracene has a molecular weight of 459.37 g/mol, XLogP of 8.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-9,10-bis(3-methoxyphenyl)anthracene is sourced from PubChem (CID 10790094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).