1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran

C26H14BrClO — CID 156695180

IUPAC1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran
SMILESClc1ccc2c(c1)oc1cccc(-c3c4ccccc4c(Br)c4ccccc34)c12
InChIInChI=1S/C26H14BrClO/c27-26-18-8-3-1-6-16(18)24(17-7-2-4-9-19(17)26)21-10-5-11-22-25(21)20-13-12-15(28)14-23(20)29-22/h1-14H
InChIKeyYOYMWOUBRIQXJF-UHFFFAOYSA-N
MW457.75 g/mol
LogP8.98
Rot. Bonds1

About 1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran

1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran (PubChem CID 156695180) has the molecular formula C26H14BrClO and a molecular weight of 457.75 g/mol. Its IUPAC name is 1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran.

Molecular Properties

Compound Name1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran
PubChem CID156695180
Molecular FormulaC26H14BrClO
Molecular Weight457.75 g/mol
Exact Mass455.99
IUPAC Name1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran
SMILESClc1ccc2c(c1)oc1cccc(-c3c4ccccc4c(Br)c4ccccc34)c12
InChIInChI=1S/C26H14BrClO/c27-26-18-8-3-1-6-16(18)24(17-7-2-4-9-19(17)26)21-10-5-11-22-25(21)20-13-12-15(28)14-23(20)29-22/h1-14H
InChIKeyYOYMWOUBRIQXJF-UHFFFAOYSA-N
XLogP8.98
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.75
LogP ≤ 58.98
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

1-[4-(10-bromoanthracen-9-yl)naphthalen-1-yl]-7-phenyldibenzofuran
CID 176639419
2-(7-chlorodibenzofuran-1-yl)naphthalene-1,3-diol
CID 162700640
3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran
CID 176862825
8-chloro-1-dibenzofuran-1-yldibenzofuran
CID 174292650
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
7-(2,3,4,5,6-pentadeuteriophenyl)-1-[10-[2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]anthracen-9-yl]dibenzofuran
CID 170662347
7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 167289365
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran
CID 174362886
2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 162471283
11-(10-dibenzofuran-1-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166897090
4-chloro-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene
CID 167121541

Frequently Asked Questions

What is the IUPAC name of 1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran?
The IUPAC name of 1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran (CID 156695180) is 1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran.
What is the SMILES notation for 1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran?
The canonical SMILES for 1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran is Clc1ccc2c(c1)oc1cccc(-c3c4ccccc4c(Br)c4ccccc34)c12.
What is the InChIKey of 1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran?
The InChIKey is YOYMWOUBRIQXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14BrClO/c27-26-18-8-3-1-6-16(18)24(17-7-2-4-9-19(17)26)21-10-5-11-22-25(21)20-13-12-15(28)14-23(20)29-22/h1-14H.
What are the key properties of 1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran?
1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran has a molecular weight of 457.75 g/mol, XLogP of 8.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran is sourced from PubChem (CID 156695180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).