1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran

C44H28O — CID 174167645

IUPAC1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)c4ccccc34)c2)cc1
InChIInChI=1S/C44H28O/c1-3-13-29(14-4-1)31-17-11-18-32(27-31)42-35-19-7-9-21-37(35)43(38-22-10-8-20-36(38)42)33-25-26-39-41(28-33)45-40-24-12-23-34(44(39)40)30-15-5-2-6-16-30/h1-28H
InChIKeyPCFPINXPTSYDLH-UHFFFAOYSA-N
MW572.71 g/mol
LogP12.56
Rot. Bonds4

About 1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran

1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 174167645) has the molecular formula C44H28O and a molecular weight of 572.71 g/mol. Its IUPAC name is 1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
PubChem CID174167645
Molecular FormulaC44H28O
Molecular Weight572.71 g/mol
Exact Mass572.21
IUPAC Name1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)c4ccccc34)c2)cc1
InChIInChI=1S/C44H28O/c1-3-13-29(14-4-1)31-17-11-18-32(27-31)42-35-19-7-9-21-37(35)43(38-22-10-8-20-36(38)42)33-25-26-39-41(28-33)45-40-24-12-23-34(44(39)40)30-15-5-2-6-16-30/h1-28H
InChIKeyPCFPINXPTSYDLH-UHFFFAOYSA-N
XLogP12.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 512.56
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

1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
7-[10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-1-phenyldibenzofuran
CID 170662680
7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167405887
2-(10-phenylanthracen-9-yl)-7-(4-phenylphenyl)dibenzofuran;2-(10-phenylanthracen-9-yl)-8-(3-phenylphenyl)dibenzofuran;8-(10-phenylanthracen-9-yl)-1-(2-phenylphenyl)dibenzofuran
CID 157351443
6-[10-(2,6-diphenylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 171447365
2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797978
3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
CID 167306847
1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 174297045
7-phenyl-1-[2,3,4,6-tetradeuterio-5-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167405511
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
2-(3,5-diphenylphenyl)-4-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164797691
1-(3,5-diphenylphenyl)-9-(10-phenylanthracen-9-yl)dibenzofuran;7-(2,5-diphenylphenyl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;1-(10-phenylanthracen-9-yl)-8-[4-(4-phenylphenyl)phenyl]dibenzofuran
CID 158423498

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran (CID 174167645) is 1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran is c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)c4ccccc34)c2)cc1.
What is the InChIKey of 1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran?
The InChIKey is PCFPINXPTSYDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28O/c1-3-13-29(14-4-1)31-17-11-18-32(27-31)42-35-19-7-9-21-37(35)43(38-22-10-8-20-36(38)42)33-25-26-39-41(28-33)45-40-24-12-23-34(44(39)40)30-15-5-2-6-16-30/h1-28H.
What are the key properties of 1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran?
1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran has a molecular weight of 572.71 g/mol, XLogP of 12.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 174167645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).