4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran

C51H34O — CID 59136825

IUPAC4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3ccc(C(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C51H34O/c1-2-11-34(12-3-1)35-21-23-36(24-22-35)37-25-29-39(30-26-37)50(48-33-41-13-4-5-14-42(41)44-15-6-7-16-45(44)48)40-31-27-38(28-32-40)43-18-10-19-47-46-17-8-9-20-49(46)52-51(43)47/h1-33,50H
InChIKeyPUPFDRKQZDRBPL-UHFFFAOYSA-N
MW662.83 g/mol
LogP14.07
Rot. Bonds6

About 4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran

4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran (PubChem CID 59136825) has the molecular formula C51H34O and a molecular weight of 662.83 g/mol. Its IUPAC name is 4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
PubChem CID59136825
Molecular FormulaC51H34O
Molecular Weight662.83 g/mol
Exact Mass662.26
IUPAC Name4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3ccc(C(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C51H34O/c1-2-11-34(12-3-1)35-21-23-36(24-22-35)37-25-29-39(30-26-37)50(48-33-41-13-4-5-14-42(41)44-15-6-7-16-45(44)48)40-31-27-38(28-32-40)43-18-10-19-47-46-17-8-9-20-49(46)52-51(43)47/h1-33,50H
InChIKeyPUPFDRKQZDRBPL-UHFFFAOYSA-N
XLogP14.07
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.83
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'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-[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-[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-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136983
4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59137078
4-[4-[1-(4-phenylphenyl)ethyl]phenyl]dibenzofuran
CID 174178014
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481415
4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 155303641

Frequently Asked Questions

What is the IUPAC name of 4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran?
The IUPAC name of 4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran (CID 59136825) is 4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran.
What is the SMILES notation for 4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran?
The canonical SMILES for 4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran is c1ccc(-c2ccc(-c3ccc(C(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran?
The InChIKey is PUPFDRKQZDRBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34O/c1-2-11-34(12-3-1)35-21-23-36(24-22-35)37-25-29-39(30-26-37)50(48-33-41-13-4-5-14-42(41)44-15-6-7-16-45(44)48)40-31-27-38(28-32-40)43-18-10-19-47-46-17-8-9-20-49(46)52-51(43)47/h1-33,50H.
What are the key properties of 4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran?
4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran has a molecular weight of 662.83 g/mol, XLogP of 14.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran is sourced from PubChem (CID 59136825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).