4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran

C53H36O — CID 59136983

IUPAC4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3ccc(C(c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c4)c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C53H36O/c1-2-12-36(13-3-1)37-26-28-38(29-27-37)39-30-32-41(33-31-39)52(49-23-10-15-40-14-4-5-20-46(40)49)45-19-9-17-43(35-45)42-16-8-18-44(34-42)47-22-11-24-50-48-21-6-7-25-51(48)54-53(47)50/h1-35,52H
InChIKeyZBPBLVJBMTYBQL-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.59
Rot. Bonds7

About 4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran

4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran (PubChem CID 59136983) has the molecular formula C53H36O and a molecular weight of 688.87 g/mol. Its IUPAC name is 4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
PubChem CID59136983
Molecular FormulaC53H36O
Molecular Weight688.87 g/mol
Exact Mass688.28
IUPAC Name4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3ccc(C(c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c4)c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C53H36O/c1-2-12-36(13-3-1)37-26-28-38(29-27-37)39-30-32-41(33-31-39)52(49-23-10-15-40-14-4-5-20-46(40)49)45-19-9-17-43(35-45)42-16-8-18-44(34-42)47-22-11-24-50-48-21-6-7-25-51(48)54-53(47)50/h1-35,52H
InChIKeyZBPBLVJBMTYBQL-UHFFFAOYSA-N
XLogP14.59
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 514.59
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-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136882
4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59137078
1-[3-[naphthalen-1-yl-(4-naphthalen-2-ylphenyl)methyl]phenyl]-4-(3-phenylphenyl)dibenzofuran
CID 135295808
4-[4-[3-[(4-phenylnaphthalen-1-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136822
4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 168845323
4-[3-[4-[bis(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-(3-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[[4-(3-phenylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 159495965
4-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran
CID 59136862
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-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59136825
4-[4-(1-naphthalen-1-ylpropyl)phenyl]dibenzofuran
CID 121440850
1-[[4-[4-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]phenyl]-phenylmethyl]naphthalene;1-[[4-[4-[[4-[4-[naphthalen-1-yl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]naphthalene
CID 91356771

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran?
The IUPAC name of 4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran (CID 59136983) is 4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran.
What is the SMILES notation for 4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran?
The canonical SMILES for 4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran is c1ccc(-c2ccc(-c3ccc(C(c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c4)c4cccc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran?
The InChIKey is ZBPBLVJBMTYBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36O/c1-2-12-36(13-3-1)37-26-28-38(29-27-37)39-30-32-41(33-31-39)52(49-23-10-15-40-14-4-5-20-46(40)49)45-19-9-17-43(35-45)42-16-8-18-44(34-42)47-22-11-24-50-48-21-6-7-25-51(48)54-53(47)50/h1-35,52H.
What are the key properties of 4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran?
4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran has a molecular weight of 688.87 g/mol, XLogP of 14.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran is sourced from PubChem (CID 59136983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).