4-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzofuran

C40H25IO — CID 170289926

IUPAC4-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzofuran
SMILESIc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc4c3)cc2)cc1
InChIInChI=1S/C40H25IO/c41-35-22-20-27(21-23-35)26-8-10-28(11-9-26)31-16-18-34-25-32(17-19-33(34)24-31)29-12-14-30(15-13-29)36-5-3-6-38-37-4-1-2-7-39(37)42-40(36)38/h1-25H
InChIKeyJIORYZZQEKWXEM-UHFFFAOYSA-N
MW648.54 g/mol
LogP12.01
Rot. Bonds4

About 4-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzofuran

4-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzofuran (PubChem CID 170289926) has the molecular formula C40H25IO and a molecular weight of 648.54 g/mol. Its IUPAC name is 4-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzofuran
PubChem CID170289926
Molecular FormulaC40H25IO
Molecular Weight648.54 g/mol
Exact Mass648.10
IUPAC Name4-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzofuran
SMILESIc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc4c3)cc2)cc1
InChIInChI=1S/C40H25IO/c41-35-22-20-27(21-23-35)26-8-10-28(11-9-26)31-16-18-34-25-32(17-19-33(34)24-31)29-12-14-30(15-13-29)36-5-3-6-38-37-4-1-2-7-39(37)42-40(36)38/h1-25H
InChIKeyJIORYZZQEKWXEM-UHFFFAOYSA-N
XLogP12.01
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.54
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline
CID 155374295
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]aniline
CID 88950712
N-(4-dibenzofuran-4-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155374400
[4-[7-(4-dibenzofuran-4-ylphenyl)naphthalen-2-yl]phenyl]-trimethylsilane
CID 169293942
8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine
CID 170293616
4-[4-(2,10-dinaphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58323570
4-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 58510830
4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 121460850
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
N-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline
CID 139544912
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 155480997

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzofuran?
The IUPAC name of 4-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzofuran (CID 170289926) is 4-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzofuran.
What is the SMILES notation for 4-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzofuran?
The canonical SMILES for 4-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzofuran is Ic1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc4c3)cc2)cc1.
What is the InChIKey of 4-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzofuran?
The InChIKey is JIORYZZQEKWXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25IO/c41-35-22-20-27(21-23-35)26-8-10-28(11-9-26)31-16-18-34-25-32(17-19-33(34)24-31)29-12-14-30(15-13-29)36-5-3-6-38-37-4-1-2-7-39(37)42-40(36)38/h1-25H.
What are the key properties of 4-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzofuran?
4-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzofuran has a molecular weight of 648.54 g/mol, XLogP of 12.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzofuran is sourced from PubChem (CID 170289926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).