3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran

C44H28O — CID 146350651

IUPAC3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C44H28O/c1-2-10-29(11-3-1)30-18-22-32(23-19-30)43-37-13-4-6-15-39(37)44(40-16-7-5-14-38(40)43)33-24-20-31(21-25-33)34-26-27-36-35-12-8-9-17-41(35)45-42(36)28-34/h1-28H
InChIKeyQFSFMRDNWCQEBS-UHFFFAOYSA-N
MW572.71 g/mol
LogP12.56
Rot. Bonds4

About 3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran

3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran (PubChem CID 146350651) has the molecular formula C44H28O and a molecular weight of 572.71 g/mol. Its IUPAC name is 3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran.

Molecular Properties

Compound Name3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
PubChem CID146350651
Molecular FormulaC44H28O
Molecular Weight572.71 g/mol
Exact Mass572.21
IUPAC Name3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C44H28O/c1-2-10-29(11-3-1)30-18-22-32(23-19-30)43-37-13-4-6-15-39(37)44(40-16-7-5-14-38(40)43)33-24-20-31(21-25-33)34-26-27-36-35-12-8-9-17-41(35)45-42(36)28-34/h1-28H
InChIKeyQFSFMRDNWCQEBS-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

7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran
CID 168795741
7-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425853
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415848
3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 155334112
3-[6-[4-[10-dibenzofuran-3-yl-3-(9-dibenzofuran-3-yl-10-phenylanthracen-2-yl)anthracen-9-yl]phenyl]naphthalen-2-yl]-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 175620760
3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 118671052
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
CID 58261864
3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249915
6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 130212286
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
7-[4-(10-phenylanthracen-9-yl)phenyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 130212470

Frequently Asked Questions

What is the IUPAC name of 3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran?
The IUPAC name of 3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran (CID 146350651) is 3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran.
What is the SMILES notation for 3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran?
The canonical SMILES for 3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran?
The InChIKey is QFSFMRDNWCQEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28O/c1-2-10-29(11-3-1)30-18-22-32(23-19-30)43-37-13-4-6-15-39(37)44(40-16-7-5-14-38(40)43)33-24-20-31(21-25-33)34-26-27-36-35-12-8-9-17-41(35)45-42(36)28-34/h1-28H.
What are the key properties of 3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran?
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]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 3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran is sourced from PubChem (CID 146350651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).