1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran

C42H28O — CID 154618828

IUPAC1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc5oc6ccccc6c45)c3)c2)cc1
InChIInChI=1S/C42H28O/c1-3-12-29(13-4-1)31-16-9-18-33(24-31)35-26-36(34-19-10-17-32(25-34)30-14-5-2-6-15-30)28-37(27-35)38-21-11-23-41-42(38)39-20-7-8-22-40(39)43-41/h1-28H
InChIKeyGJWSFCDSMJCPPX-UHFFFAOYSA-N
MW548.69 g/mol
LogP11.92
Rot. Bonds5

About 1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran

1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran (PubChem CID 154618828) has the molecular formula C42H28O and a molecular weight of 548.69 g/mol. Its IUPAC name is 1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran.

Molecular Properties

Compound Name1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
PubChem CID154618828
Molecular FormulaC42H28O
Molecular Weight548.69 g/mol
Exact Mass548.21
IUPAC Name1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc5oc6ccccc6c45)c3)c2)cc1
InChIInChI=1S/C42H28O/c1-3-12-29(13-4-1)31-16-9-18-33(24-31)35-26-36(34-19-10-17-32(25-34)30-14-5-2-6-15-30)28-37(27-35)38-21-11-23-41-42(38)39-20-7-8-22-40(39)43-41/h1-28H
InChIKeyGJWSFCDSMJCPPX-UHFFFAOYSA-N
XLogP11.92
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
5-[9-[3-phenyl-5-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]naphtho[2,1-b][1]benzofuran
CID 167419865
3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
CID 167306847
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244
2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442533
4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 171583574
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
CID 171585490
7-[3-(3,5-diphenylphenyl)phenyl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 162495178
1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran
CID 147609065

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran?
The IUPAC name of 1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran (CID 154618828) is 1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran.
What is the SMILES notation for 1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran?
The canonical SMILES for 1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran is c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc5oc6ccccc6c45)c3)c2)cc1.
What is the InChIKey of 1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran?
The InChIKey is GJWSFCDSMJCPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28O/c1-3-12-29(13-4-1)31-16-9-18-33(24-31)35-26-36(34-19-10-17-32(25-34)30-14-5-2-6-15-30)28-37(27-35)38-21-11-23-41-42(38)39-20-7-8-22-40(39)43-41/h1-28H.
What are the key properties of 1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran?
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran has a molecular weight of 548.69 g/mol, XLogP of 11.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran is sourced from PubChem (CID 154618828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).