4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran

C49H34O — CID 168845323

IUPAC4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)cc2)cc1
InChIInChI=1S/C49H34O/c1-3-11-34(12-4-1)36-21-27-39(28-22-36)48(40-29-23-37(24-30-40)35-13-5-2-6-14-35)41-31-25-38(26-32-41)42-15-9-16-43(33-42)44-18-10-19-46-45-17-7-8-20-47(45)50-49(44)46/h1-33,48H
InChIKeyASLKRLHIPBSTJY-UHFFFAOYSA-N
MW638.81 g/mol
LogP13.43
Rot. Bonds7

About 4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran

4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran (PubChem CID 168845323) has the molecular formula C49H34O and a molecular weight of 638.81 g/mol. Its IUPAC name is 4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
PubChem CID168845323
Molecular FormulaC49H34O
Molecular Weight638.81 g/mol
Exact Mass638.26
IUPAC Name4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)cc2)cc1
InChIInChI=1S/C49H34O/c1-3-11-34(12-4-1)36-21-27-39(28-22-36)48(40-29-23-37(24-30-40)35-13-5-2-6-14-35)41-31-25-38(26-32-41)42-15-9-16-43(33-42)44-18-10-19-46-45-17-7-8-20-47(45)50-49(44)46/h1-33,48H
InChIKeyASLKRLHIPBSTJY-UHFFFAOYSA-N
XLogP13.43
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59137078
4-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran
CID 59136862
4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136983
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4-[4-[3-[(4-phenylnaphthalen-1-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136822
4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136882
4-[4-[1-(4-phenylphenyl)ethyl]phenyl]dibenzofuran
CID 174178014
4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59136825
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran?
The IUPAC name of 4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran (CID 168845323) is 4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran.
What is the SMILES notation for 4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran?
The canonical SMILES for 4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran is c1ccc(-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)cc2)cc1.
What is the InChIKey of 4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran?
The InChIKey is ASLKRLHIPBSTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34O/c1-3-11-34(12-4-1)36-21-27-39(28-22-36)48(40-29-23-37(24-30-40)35-13-5-2-6-14-35)41-31-25-38(26-32-41)42-15-9-16-43(33-42)44-18-10-19-46-45-17-7-8-20-47(45)50-49(44)46/h1-33,48H.
What are the key properties of 4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran?
4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran has a molecular weight of 638.81 g/mol, XLogP of 13.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran is sourced from PubChem (CID 168845323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).