1-[3-[naphthalen-1-yl-(4-naphthalen-2-ylphenyl)methyl]phenyl]-4-(3-phenylphenyl)dibenzofuran

C57H38O — CID 135295808

IUPAC1-[3-[naphthalen-1-yl-(4-naphthalen-2-ylphenyl)methyl]phenyl]-4-(3-phenylphenyl)dibenzofuran
SMILESc1ccc(-c2cccc(-c3ccc(-c4cccc(C(c5ccc(-c6ccc7ccccc7c6)cc5)c5cccc6ccccc56)c4)c4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C57H38O/c1-2-13-38(14-3-1)44-19-10-21-47(36-44)51-34-33-50(56-53-24-8-9-26-54(53)58-57(51)56)46-20-11-22-48(37-46)55(52-25-12-18-41-16-6-7-23-49(41)52)42-30-27-40(28-31-42)45-32-29-39-15-4-5-17-43(39)35-45/h1-37,55H
InChIKeyPGIBOWKGUAMEPS-UHFFFAOYSA-N
MW738.93 g/mol
LogP15.74
Rot. Bonds7

About 1-[3-[naphthalen-1-yl-(4-naphthalen-2-ylphenyl)methyl]phenyl]-4-(3-phenylphenyl)dibenzofuran

1-[3-[naphthalen-1-yl-(4-naphthalen-2-ylphenyl)methyl]phenyl]-4-(3-phenylphenyl)dibenzofuran (PubChem CID 135295808) has the molecular formula C57H38O and a molecular weight of 738.93 g/mol. Its IUPAC name is 1-[3-[naphthalen-1-yl-(4-naphthalen-2-ylphenyl)methyl]phenyl]-4-(3-phenylphenyl)dibenzofuran.

Molecular Properties

Compound Name1-[3-[naphthalen-1-yl-(4-naphthalen-2-ylphenyl)methyl]phenyl]-4-(3-phenylphenyl)dibenzofuran
PubChem CID135295808
Molecular FormulaC57H38O
Molecular Weight738.93 g/mol
Exact Mass738.29
IUPAC Name1-[3-[naphthalen-1-yl-(4-naphthalen-2-ylphenyl)methyl]phenyl]-4-(3-phenylphenyl)dibenzofuran
SMILESc1ccc(-c2cccc(-c3ccc(-c4cccc(C(c5ccc(-c6ccc7ccccc7c6)cc5)c5cccc6ccccc56)c4)c4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C57H38O/c1-2-13-38(14-3-1)44-19-10-21-47(36-44)51-34-33-50(56-53-24-8-9-26-54(53)58-57(51)56)46-20-11-22-48(37-46)55(52-25-12-18-41-16-6-7-23-49(41)52)42-30-27-40(28-31-42)45-32-29-39-15-4-5-17-43(39)35-45/h1-37,55H
InChIKeyPGIBOWKGUAMEPS-UHFFFAOYSA-N
XLogP15.74
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 515.74
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-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136983
4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136882
2,4-dinaphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163773356
4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59137078
4-[4-[3-[(4-phenylnaphthalen-1-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136822
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
1-[4-[(3-naphthalen-2-yl-2-phenanthren-9-ylphenyl)-(4-phenylphenyl)methyl]phenyl]dibenzofuran
CID 177274790
2-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 166742221
2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741767
2-[3-[4-[bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran;2-[3-[bis[4-(4-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[4-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 159462460
2-naphthalen-2-yl-4-[4-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(7-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163770991
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069839

Frequently Asked Questions

What is the IUPAC name of 1-[3-[naphthalen-1-yl-(4-naphthalen-2-ylphenyl)methyl]phenyl]-4-(3-phenylphenyl)dibenzofuran?
The IUPAC name of 1-[3-[naphthalen-1-yl-(4-naphthalen-2-ylphenyl)methyl]phenyl]-4-(3-phenylphenyl)dibenzofuran (CID 135295808) is 1-[3-[naphthalen-1-yl-(4-naphthalen-2-ylphenyl)methyl]phenyl]-4-(3-phenylphenyl)dibenzofuran.
What is the SMILES notation for 1-[3-[naphthalen-1-yl-(4-naphthalen-2-ylphenyl)methyl]phenyl]-4-(3-phenylphenyl)dibenzofuran?
The canonical SMILES for 1-[3-[naphthalen-1-yl-(4-naphthalen-2-ylphenyl)methyl]phenyl]-4-(3-phenylphenyl)dibenzofuran is c1ccc(-c2cccc(-c3ccc(-c4cccc(C(c5ccc(-c6ccc7ccccc7c6)cc5)c5cccc6ccccc56)c4)c4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 1-[3-[naphthalen-1-yl-(4-naphthalen-2-ylphenyl)methyl]phenyl]-4-(3-phenylphenyl)dibenzofuran?
The InChIKey is PGIBOWKGUAMEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38O/c1-2-13-38(14-3-1)44-19-10-21-47(36-44)51-34-33-50(56-53-24-8-9-26-54(53)58-57(51)56)46-20-11-22-48(37-46)55(52-25-12-18-41-16-6-7-23-49(41)52)42-30-27-40(28-31-42)45-32-29-39-15-4-5-17-43(39)35-45/h1-37,55H.
What are the key properties of 1-[3-[naphthalen-1-yl-(4-naphthalen-2-ylphenyl)methyl]phenyl]-4-(3-phenylphenyl)dibenzofuran?
1-[3-[naphthalen-1-yl-(4-naphthalen-2-ylphenyl)methyl]phenyl]-4-(3-phenylphenyl)dibenzofuran has a molecular weight of 738.93 g/mol, XLogP of 15.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[naphthalen-1-yl-(4-naphthalen-2-ylphenyl)methyl]phenyl]-4-(3-phenylphenyl)dibenzofuran is sourced from PubChem (CID 135295808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).