4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran

C42H26O — CID 146652639

IUPAC4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cc(-c4cccc5c4oc4ccccc45)c4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C42H26O/c1-2-13-27(14-3-1)40-32-18-6-8-20-34(32)41(35-21-9-7-19-33(35)40)29-25-28-15-4-5-16-30(28)38(26-29)37-23-12-22-36-31-17-10-11-24-39(31)43-42(36)37/h1-26H
InChIKeySFBPUERNBGOIPK-UHFFFAOYSA-N
MW546.67 g/mol
LogP12.05
Rot. Bonds3

About 4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran

4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran (PubChem CID 146652639) has the molecular formula C42H26O and a molecular weight of 546.67 g/mol. Its IUPAC name is 4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran.

Molecular Properties

Compound Name4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
PubChem CID146652639
Molecular FormulaC42H26O
Molecular Weight546.67 g/mol
Exact Mass546.20
IUPAC Name4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cc(-c4cccc5c4oc4ccccc45)c4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C42H26O/c1-2-13-27(14-3-1)40-32-18-6-8-20-34(32)41(35-21-9-7-19-33(35)40)29-25-28-15-4-5-16-30(28)38(26-29)37-23-12-22-36-31-17-10-11-24-39(31)43-42(36)37/h1-26H
InChIKeySFBPUERNBGOIPK-UHFFFAOYSA-N
XLogP12.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 512.05
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

4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 166928345
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 143811483
4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 164758444
6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 122425914
4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 158958080
4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran
CID 167454705
6-[10-[4-(4-dibenzofuran-4-yldibenzofuran-2-yl)naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163708347
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
4-[2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050626
3-[8-dibenzofuran-3-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran;4-[8-dibenzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran
CID 161354716
4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58323634
4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536066

Frequently Asked Questions

What is the IUPAC name of 4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran?
The IUPAC name of 4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran (CID 146652639) is 4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran.
What is the SMILES notation for 4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran?
The canonical SMILES for 4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran is c1ccc(-c2c3ccccc3c(-c3cc(-c4cccc5c4oc4ccccc45)c4ccccc4c3)c3ccccc23)cc1.
What is the InChIKey of 4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran?
The InChIKey is SFBPUERNBGOIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O/c1-2-13-27(14-3-1)40-32-18-6-8-20-34(32)41(35-21-9-7-19-33(35)40)29-25-28-15-4-5-16-30(28)38(26-29)37-23-12-22-36-31-17-10-11-24-39(31)43-42(36)37/h1-26H.
What are the key properties of 4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran?
4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran has a molecular weight of 546.67 g/mol, XLogP of 12.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran is sourced from PubChem (CID 146652639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).