bis(5-chloroanthracen-1-yl)methanone

C29H16Cl2O — CID 175330463

IUPACbis(5-chloroanthracen-1-yl)methanone
SMILESO=C(c1cccc2cc3c(Cl)cccc3cc12)c1cccc2cc3c(Cl)cccc3cc12
InChIInChI=1S/C29H16Cl2O/c30-27-11-3-7-19-13-23-17(15-25(19)27)5-1-9-21(23)29(32)22-10-2-6-18-16-26-20(14-24(18)22)8-4-12-28(26)31/h1-16H
InChIKeyWIGQIEQBXZLHAN-UHFFFAOYSA-N
MW451.35 g/mol
LogP8.84
Rot. Bonds2

About bis(5-chloroanthracen-1-yl)methanone

bis(5-chloroanthracen-1-yl)methanone (PubChem CID 175330463) has the molecular formula C29H16Cl2O and a molecular weight of 451.35 g/mol. Its IUPAC name is bis(5-chloroanthracen-1-yl)methanone.

Molecular Properties

Compound Namebis(5-chloroanthracen-1-yl)methanone
PubChem CID175330463
Molecular FormulaC29H16Cl2O
Molecular Weight451.35 g/mol
Exact Mass450.06
IUPAC Namebis(5-chloroanthracen-1-yl)methanone
SMILESO=C(c1cccc2cc3c(Cl)cccc3cc12)c1cccc2cc3c(Cl)cccc3cc12
InChIInChI=1S/C29H16Cl2O/c30-27-11-3-7-19-13-23-17(15-25(19)27)5-1-9-21(23)29(32)22-10-2-6-18-16-26-20(14-24(18)22)8-4-12-28(26)31/h1-16H
InChIKeyWIGQIEQBXZLHAN-UHFFFAOYSA-N
XLogP8.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.35
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-3-hydroxynaphthalene-2-carboxylic acid
CID 155346108
1-chlorohexacene
CID 87838951
(2,5-dichlorophenyl)-naphthalen-1-ylmethanone
CID 43167267
10-chlorobenzo[b]triphenylene
CID 15449469
5-chloro-3-methylnaphthalene-2-carboxamide
CID 20773242
cadmium(2+);bis(5-chloronaphthalene-2-carboxylate)
CID 22604187
disodium bis(anthracene-1-carboxylate)
CID 155667370
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368
anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone
CID 10065533
6,7-dichloronaphthalen-1-ol
CID 82254274
5-iodoanthracene-1-carboxylic acid
CID 139609518
6-chloronaphthalene-1-carboxylic acid
CID 13288328

Frequently Asked Questions

What is the IUPAC name of bis(5-chloroanthracen-1-yl)methanone?
The IUPAC name of bis(5-chloroanthracen-1-yl)methanone (CID 175330463) is bis(5-chloroanthracen-1-yl)methanone.
What is the SMILES notation for bis(5-chloroanthracen-1-yl)methanone?
The canonical SMILES for bis(5-chloroanthracen-1-yl)methanone is O=C(c1cccc2cc3c(Cl)cccc3cc12)c1cccc2cc3c(Cl)cccc3cc12.
What is the InChIKey of bis(5-chloroanthracen-1-yl)methanone?
The InChIKey is WIGQIEQBXZLHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16Cl2O/c30-27-11-3-7-19-13-23-17(15-25(19)27)5-1-9-21(23)29(32)22-10-2-6-18-16-26-20(14-24(18)22)8-4-12-28(26)31/h1-16H.
What are the key properties of bis(5-chloroanthracen-1-yl)methanone?
bis(5-chloroanthracen-1-yl)methanone has a molecular weight of 451.35 g/mol, XLogP of 8.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-chloroanthracen-1-yl)methanone is sourced from PubChem (CID 175330463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).