2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran

C38H26O2 — CID 174178018

IUPAC2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran
SMILESCC(c1ccc(-c2ccc3oc4ccccc4c3c2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C38H26O2/c1-24(25-13-17-27(18-14-25)29-21-22-37-34(23-29)32-8-3-4-11-35(32)39-37)26-15-19-28(20-16-26)30-9-6-10-33-31-7-2-5-12-36(31)40-38(30)33/h2-24H,1H3
InChIKeyOSNYHLLMSWERCV-UHFFFAOYSA-N
MW514.62 g/mol
LogP10.97
Rot. Bonds4

About 2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran

2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran (PubChem CID 174178018) has the molecular formula C38H26O2 and a molecular weight of 514.62 g/mol. Its IUPAC name is 2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran
PubChem CID174178018
Molecular FormulaC38H26O2
Molecular Weight514.62 g/mol
Exact Mass514.19
IUPAC Name2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran
SMILESCC(c1ccc(-c2ccc3oc4ccccc4c3c2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C38H26O2/c1-24(25-13-17-27(18-14-25)29-21-22-37-34(23-29)32-8-3-4-11-35(32)39-37)26-15-19-28(20-16-26)30-9-6-10-33-31-7-2-5-12-36(31)40-38(30)33/h2-24H,1H3
InChIKeyOSNYHLLMSWERCV-UHFFFAOYSA-N
XLogP10.97
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.62
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[1-(4-phenylphenyl)ethyl]phenyl]dibenzofuran
CID 174178014
4-[4-[4-(4-propan-2-ylphenyl)phenyl]phenyl]dibenzofuran
CID 67963999
2-[4-(4-propan-2-ylphenyl)naphthalen-1-yl]dibenzofuran;3-[4-(4-propan-2-ylphenyl)naphthalen-1-yl]dibenzofuran;4-[4-(4-propan-2-ylphenyl)naphthalen-1-yl]dibenzofuran;4-[4-[4-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 157495963
2-[4-[(4-dibenzofuran-4-ylphenyl)methyl]phenyl]dibenzofuran
CID 159612507
2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran
CID 158759484
4-[4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136660
4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59137016
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
2-(4-dibenzofuran-4-ylphenyl)benzo[c]chromen-6-one
CID 121242458
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
14-(4-dibenzofuran-2-ylphenyl)-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-(4-dibenzofuran-4-ylphenyl)-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene
CID 158620457
4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 168845323

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran?
The IUPAC name of 2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran (CID 174178018) is 2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran.
What is the SMILES notation for 2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran?
The canonical SMILES for 2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran is CC(c1ccc(-c2ccc3oc4ccccc4c3c2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran?
The InChIKey is OSNYHLLMSWERCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26O2/c1-24(25-13-17-27(18-14-25)29-21-22-37-34(23-29)32-8-3-4-11-35(32)39-37)26-15-19-28(20-16-26)30-9-6-10-33-31-7-2-5-12-36(31)40-38(30)33/h2-24H,1H3.
What are the key properties of 2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran?
2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran has a molecular weight of 514.62 g/mol, XLogP of 10.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran is sourced from PubChem (CID 174178018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).