4-[4-[3-(4-dibenzofuran-4-ylphenyl)propyl]phenyl]dibenzofuran

C39H28O2 — CID 138462036

IUPAC4-[4-[3-(4-dibenzofuran-4-ylphenyl)propyl]phenyl]dibenzofuran
SMILESc1ccc2c(c1)oc1c(-c3ccc(CCCc4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cccc12
InChIInChI=1S/C39H28O2/c1-3-16-36-32(10-1)34-14-6-12-30(38(34)40-36)28-22-18-26(19-23-28)8-5-9-27-20-24-29(25-21-27)31-13-7-15-35-33-11-2-4-17-37(33)41-39(31)35/h1-4,6-7,10-25H,5,8-9H2
InChIKeyVUYHJUBXHOWKPD-UHFFFAOYSA-N
MW528.65 g/mol
LogP10.99
Rot. Bonds6

About 4-[4-[3-(4-dibenzofuran-4-ylphenyl)propyl]phenyl]dibenzofuran

4-[4-[3-(4-dibenzofuran-4-ylphenyl)propyl]phenyl]dibenzofuran (PubChem CID 138462036) has the molecular formula C39H28O2 and a molecular weight of 528.65 g/mol. Its IUPAC name is 4-[4-[3-(4-dibenzofuran-4-ylphenyl)propyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[4-[3-(4-dibenzofuran-4-ylphenyl)propyl]phenyl]dibenzofuran
PubChem CID138462036
Molecular FormulaC39H28O2
Molecular Weight528.65 g/mol
Exact Mass528.21
IUPAC Name4-[4-[3-(4-dibenzofuran-4-ylphenyl)propyl]phenyl]dibenzofuran
SMILESc1ccc2c(c1)oc1c(-c3ccc(CCCc4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cccc12
InChIInChI=1S/C39H28O2/c1-3-16-36-32(10-1)34-14-6-12-30(38(34)40-36)28-22-18-26(19-23-28)8-5-9-27-20-24-29(25-21-27)31-13-7-15-35-33-11-2-4-17-37(33)41-39(31)35/h1-4,6-7,10-25H,5,8-9H2
InChIKeyVUYHJUBXHOWKPD-UHFFFAOYSA-N
XLogP10.99
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.65
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-propylphenyl)dibenzofuran
CID 156827246
(4-dibenzofuran-4-ylphenyl)methanamine
CID 67186774
4-(4-bromophenyl)dibenzofuran
CID 59022098
2-[4-[(4-dibenzofuran-4-ylphenyl)methyl]phenyl]dibenzofuran
CID 159612507
4-(4-dibenzofuran-4-ylphenyl)aniline
CID 58510844
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran
CID 129199601
7-(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran
CID 167528692
4-[4-(3-ethylphenanthren-9-yl)phenyl]dibenzofuran
CID 87688509
4-[4-[4-(4-propan-2-ylphenyl)phenyl]phenyl]dibenzofuran
CID 67963999
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(4-dibenzofuran-4-ylphenyl)propyl]phenyl]dibenzofuran?
The IUPAC name of 4-[4-[3-(4-dibenzofuran-4-ylphenyl)propyl]phenyl]dibenzofuran (CID 138462036) is 4-[4-[3-(4-dibenzofuran-4-ylphenyl)propyl]phenyl]dibenzofuran.
What is the SMILES notation for 4-[4-[3-(4-dibenzofuran-4-ylphenyl)propyl]phenyl]dibenzofuran?
The canonical SMILES for 4-[4-[3-(4-dibenzofuran-4-ylphenyl)propyl]phenyl]dibenzofuran is c1ccc2c(c1)oc1c(-c3ccc(CCCc4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cccc12.
What is the InChIKey of 4-[4-[3-(4-dibenzofuran-4-ylphenyl)propyl]phenyl]dibenzofuran?
The InChIKey is VUYHJUBXHOWKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28O2/c1-3-16-36-32(10-1)34-14-6-12-30(38(34)40-36)28-22-18-26(19-23-28)8-5-9-27-20-24-29(25-21-27)31-13-7-15-35-33-11-2-4-17-37(33)41-39(31)35/h1-4,6-7,10-25H,5,8-9H2.
What are the key properties of 4-[4-[3-(4-dibenzofuran-4-ylphenyl)propyl]phenyl]dibenzofuran?
4-[4-[3-(4-dibenzofuran-4-ylphenyl)propyl]phenyl]dibenzofuran has a molecular weight of 528.65 g/mol, XLogP of 10.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(4-dibenzofuran-4-ylphenyl)propyl]phenyl]dibenzofuran is sourced from PubChem (CID 138462036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).