6-phenyl-1-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]dibenzofuran

C45H30O — CID 167393021

IUPAC6-phenyl-1-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccccc2Cc2c3ccccc3c(-c3cccc4oc5c(-c6ccccc6)cccc5c34)c3ccccc23)cc1
InChIInChI=1S/C45H30O/c1-3-15-30(16-4-1)33-20-8-7-19-32(33)29-41-35-21-9-11-23-37(35)43(38-24-12-10-22-36(38)41)39-26-14-28-42-44(39)40-27-13-25-34(45(40)46-42)31-17-5-2-6-18-31/h1-28H,29H2
InChIKeyKDCHPIQSTGFCAW-UHFFFAOYSA-N
MW586.73 g/mol
LogP12.48
Rot. Bonds5

About 6-phenyl-1-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]dibenzofuran

6-phenyl-1-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]dibenzofuran (PubChem CID 167393021) has the molecular formula C45H30O and a molecular weight of 586.73 g/mol. Its IUPAC name is 6-phenyl-1-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name6-phenyl-1-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]dibenzofuran
PubChem CID167393021
Molecular FormulaC45H30O
Molecular Weight586.73 g/mol
Exact Mass586.23
IUPAC Name6-phenyl-1-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccccc2Cc2c3ccccc3c(-c3cccc4oc5c(-c6ccccc6)cccc5c34)c3ccccc23)cc1
InChIInChI=1S/C45H30O/c1-3-15-30(16-4-1)33-20-8-7-19-32(33)29-41-35-21-9-11-23-37(35)43(38-24-12-10-22-36(38)41)39-26-14-28-42-44(39)40-27-13-25-34(45(40)46-42)31-17-5-2-6-18-31/h1-28H,29H2
InChIKeyKDCHPIQSTGFCAW-UHFFFAOYSA-N
XLogP12.48
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.73
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-naphthalen-1-yl-1-[10-[(2-naphthalen-1-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
CID 167394382
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176751774
6-naphthalen-1-yl-1-[10-[(2-phenanthren-9-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
CID 167395094
1,6-diphenyldibenzofuran
CID 145331756
1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176777662
1-(10-phenylanthracen-9-yl)-6-(2-phenylphenyl)dibenzofuran
CID 134169518
1-[[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]methyl]-6-phenyldibenzofuran
CID 167406801
4-naphthalen-1-yl-1-[10-[(2-naphthalen-2-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
CID 167392397
7-(10-dibenzofuran-4-ylanthracen-9-yl)-16-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 153314459
4-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene
CID 177265101
6-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[4,5-b][1]benzofuran
CID 176743583
10-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran
CID 176746040

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]dibenzofuran?
The IUPAC name of 6-phenyl-1-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]dibenzofuran (CID 167393021) is 6-phenyl-1-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 6-phenyl-1-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]dibenzofuran?
The canonical SMILES for 6-phenyl-1-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]dibenzofuran is c1ccc(-c2ccccc2Cc2c3ccccc3c(-c3cccc4oc5c(-c6ccccc6)cccc5c34)c3ccccc23)cc1.
What is the InChIKey of 6-phenyl-1-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]dibenzofuran?
The InChIKey is KDCHPIQSTGFCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30O/c1-3-15-30(16-4-1)33-20-8-7-19-32(33)29-41-35-21-9-11-23-37(35)43(38-24-12-10-22-36(38)41)39-26-14-28-42-44(39)40-27-13-25-34(45(40)46-42)31-17-5-2-6-18-31/h1-28H,29H2.
What are the key properties of 6-phenyl-1-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]dibenzofuran?
6-phenyl-1-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]dibenzofuran has a molecular weight of 586.73 g/mol, XLogP of 12.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 167393021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).