3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran

C32H19BrO — CID 176862825

IUPAC3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran
SMILESBrc1c2ccccc2c(-c2ccccc2-c2ccc3c(c2)oc2ccccc23)c2ccccc12
InChIInChI=1S/C32H19BrO/c33-32-27-14-5-3-12-25(27)31(26-13-4-6-15-28(26)32)24-11-2-1-9-21(24)20-17-18-23-22-10-7-8-16-29(22)34-30(23)19-20/h1-19H
InChIKeyAOQUDTRCKQXGMN-UHFFFAOYSA-N
MW499.41 g/mol
LogP9.99
Rot. Bonds2

About 3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran

3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 176862825) has the molecular formula C32H19BrO and a molecular weight of 499.41 g/mol. Its IUPAC name is 3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran
PubChem CID176862825
Molecular FormulaC32H19BrO
Molecular Weight499.41 g/mol
Exact Mass498.06
IUPAC Name3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran
SMILESBrc1c2ccccc2c(-c2ccccc2-c2ccc3c(c2)oc2ccccc23)c2ccccc12
InChIInChI=1S/C32H19BrO/c33-32-27-14-5-3-12-25(27)31(26-13-4-6-15-28(26)32)24-11-2-1-9-21(24)20-17-18-23-22-10-7-8-16-29(22)34-30(23)19-20/h1-19H
InChIKeyAOQUDTRCKQXGMN-UHFFFAOYSA-N
XLogP9.99
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.41
LogP ≤ 59.99
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

3-[4-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 155454054
7-[10-(2-phenylphenyl)anthracen-9-yl]-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 170654309
6-(10-bromoanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 167187045
6-(10-bromoanthracen-9-yl)-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 170654333
3-(2-chlorophenyl)dibenzofuran
CID 138667405
1-[4-(10-bromoanthracen-9-yl)naphthalen-1-yl]-7-phenyldibenzofuran
CID 176639419
2-[2-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536204
3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 118671052
3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran
CID 138553319
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran
CID 156695180
3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 155334783

Frequently Asked Questions

What is the IUPAC name of 3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran?
The IUPAC name of 3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran (CID 176862825) is 3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran.
What is the SMILES notation for 3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran?
The canonical SMILES for 3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran is Brc1c2ccccc2c(-c2ccccc2-c2ccc3c(c2)oc2ccccc23)c2ccccc12.
What is the InChIKey of 3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran?
The InChIKey is AOQUDTRCKQXGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19BrO/c33-32-27-14-5-3-12-25(27)31(26-13-4-6-15-28(26)32)24-11-2-1-9-21(24)20-17-18-23-22-10-7-8-16-29(22)34-30(23)19-20/h1-19H.
What are the key properties of 3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran?
3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran has a molecular weight of 499.41 g/mol, XLogP of 9.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 176862825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).