1-[4-(10-bromoanthracen-9-yl)naphthalen-1-yl]-7-phenyldibenzofuran

C42H25BrO — CID 176639419

IUPAC1-[4-(10-bromoanthracen-9-yl)naphthalen-1-yl]-7-phenyldibenzofuran
SMILESBrc1c2ccccc2c(-c2ccc(-c3cccc4oc5cc(-c6ccccc6)ccc5c34)c3ccccc23)c2ccccc12
InChIInChI=1S/C42H25BrO/c43-42-35-17-8-6-15-32(35)40(33-16-7-9-18-36(33)42)34-24-23-30(28-13-4-5-14-29(28)34)31-19-10-20-38-41(31)37-22-21-27(25-39(37)44-38)26-11-2-1-3-12-26/h1-25H
InChIKeySZELMMAGGMAFPA-UHFFFAOYSA-N
MW625.57 g/mol
LogP12.81
Rot. Bonds3

About 1-[4-(10-bromoanthracen-9-yl)naphthalen-1-yl]-7-phenyldibenzofuran

1-[4-(10-bromoanthracen-9-yl)naphthalen-1-yl]-7-phenyldibenzofuran (PubChem CID 176639419) has the molecular formula C42H25BrO and a molecular weight of 625.57 g/mol. Its IUPAC name is 1-[4-(10-bromoanthracen-9-yl)naphthalen-1-yl]-7-phenyldibenzofuran.

Molecular Properties

Compound Name1-[4-(10-bromoanthracen-9-yl)naphthalen-1-yl]-7-phenyldibenzofuran
PubChem CID176639419
Molecular FormulaC42H25BrO
Molecular Weight625.57 g/mol
Exact Mass624.11
IUPAC Name1-[4-(10-bromoanthracen-9-yl)naphthalen-1-yl]-7-phenyldibenzofuran
SMILESBrc1c2ccccc2c(-c2ccc(-c3cccc4oc5cc(-c6ccccc6)ccc5c34)c3ccccc23)c2ccccc12
InChIInChI=1S/C42H25BrO/c43-42-35-17-8-6-15-32(35)40(33-16-7-9-18-36(33)42)34-24-23-30(28-13-4-5-14-29(28)34)31-19-10-20-38-41(31)37-22-21-27(25-39(37)44-38)26-11-2-1-3-12-26/h1-25H
InChIKeySZELMMAGGMAFPA-UHFFFAOYSA-N
XLogP12.81
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.57
LogP ≤ 512.81
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

6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163891273
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 174167645
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167405887
1-[8-dibenzofuran-1-yl-10-(2,4-diphenylphenyl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(2,4-diphenylphenyl)anthracen-1-yl]dibenzofuran;3-[8-dibenzofuran-3-yl-10-(2,4-diphenylphenyl)anthracen-1-yl]dibenzofuran
CID 159957368
3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran
CID 176862825
2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164786
1-[10-[3,4-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-7-phenyldibenzofuran
CID 170662053
8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 174167530
1-(10-bromoanthracen-9-yl)-7-chlorodibenzofuran
CID 156695180
1-[10-(7-phenyldibenzofuran-1-yl)anthracen-9-yl]triphenylen-2-ol
CID 171447261

Frequently Asked Questions

What is the IUPAC name of 1-[4-(10-bromoanthracen-9-yl)naphthalen-1-yl]-7-phenyldibenzofuran?
The IUPAC name of 1-[4-(10-bromoanthracen-9-yl)naphthalen-1-yl]-7-phenyldibenzofuran (CID 176639419) is 1-[4-(10-bromoanthracen-9-yl)naphthalen-1-yl]-7-phenyldibenzofuran.
What is the SMILES notation for 1-[4-(10-bromoanthracen-9-yl)naphthalen-1-yl]-7-phenyldibenzofuran?
The canonical SMILES for 1-[4-(10-bromoanthracen-9-yl)naphthalen-1-yl]-7-phenyldibenzofuran is Brc1c2ccccc2c(-c2ccc(-c3cccc4oc5cc(-c6ccccc6)ccc5c34)c3ccccc23)c2ccccc12.
What is the InChIKey of 1-[4-(10-bromoanthracen-9-yl)naphthalen-1-yl]-7-phenyldibenzofuran?
The InChIKey is SZELMMAGGMAFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25BrO/c43-42-35-17-8-6-15-32(35)40(33-16-7-9-18-36(33)42)34-24-23-30(28-13-4-5-14-29(28)34)31-19-10-20-38-41(31)37-22-21-27(25-39(37)44-38)26-11-2-1-3-12-26/h1-25H.
What are the key properties of 1-[4-(10-bromoanthracen-9-yl)naphthalen-1-yl]-7-phenyldibenzofuran?
1-[4-(10-bromoanthracen-9-yl)naphthalen-1-yl]-7-phenyldibenzofuran has a molecular weight of 625.57 g/mol, XLogP of 12.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(10-bromoanthracen-9-yl)naphthalen-1-yl]-7-phenyldibenzofuran is sourced from PubChem (CID 176639419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).