4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran

C48H30O — CID 164758444

IUPAC4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3ccc4c(-c5c6ccccc6c(-c6cccc7c6oc6ccccc67)c6ccccc56)cccc4c3)c2)cc1
InChIInChI=1S/C48H30O/c1-2-13-31(14-3-1)32-15-10-16-33(29-32)34-27-28-36-35(30-34)17-11-23-38(36)46-39-19-4-6-21-41(39)47(42-22-7-5-20-40(42)46)44-25-12-24-43-37-18-8-9-26-45(37)49-48(43)44/h1-30H
InChIKeyHLJYQUWMSOSMRM-UHFFFAOYSA-N
MW622.77 g/mol
LogP13.71
Rot. Bonds4

About 4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran

4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran (PubChem CID 164758444) has the molecular formula C48H30O and a molecular weight of 622.77 g/mol. Its IUPAC name is 4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
PubChem CID164758444
Molecular FormulaC48H30O
Molecular Weight622.77 g/mol
Exact Mass622.23
IUPAC Name4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3ccc4c(-c5c6ccccc6c(-c6cccc7c6oc6ccccc67)c6ccccc56)cccc4c3)c2)cc1
InChIInChI=1S/C48H30O/c1-2-13-31(14-3-1)32-15-10-16-33(29-32)34-27-28-36-35(30-34)17-11-23-38(36)46-39-19-4-6-21-41(39)47(42-22-7-5-20-40(42)46)44-25-12-24-43-37-18-8-9-26-45(37)49-48(43)44/h1-30H
InChIKeyHLJYQUWMSOSMRM-UHFFFAOYSA-N
XLogP13.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 513.71
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-(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
9-naphthalen-1-yl-10-[4-(6-phenylnaphthalen-2-yl)phenyl]anthracene;9-[6-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[3-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]dibenzofuran
CID 165012926
4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58323634
6-[3-(10-naphthalen-1-ylanthracen-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 163929828
ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 143986146
9,10-bis(3-phenylphenyl)anthracene;9,10-bis(4-phenylphenyl)anthracene;2-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran;9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-di(phenanthren-9-yl)anthracene
CID 159984681
4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 146652639
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran;2-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 158528042
7-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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 88568839
8-[10-(7-phenylnaphthalen-1-yl)anthracen-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 174289652
5-[3-[10-naphthalen-1-yl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 163666366
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

Frequently Asked Questions

What is the IUPAC name of 4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran?
The IUPAC name of 4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran (CID 164758444) is 4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran?
The canonical SMILES for 4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran is c1ccc(-c2cccc(-c3ccc4c(-c5c6ccccc6c(-c6cccc7c6oc6ccccc67)c6ccccc56)cccc4c3)c2)cc1.
What is the InChIKey of 4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran?
The InChIKey is HLJYQUWMSOSMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O/c1-2-13-31(14-3-1)32-15-10-16-33(29-32)34-27-28-36-35(30-34)17-11-23-38(36)46-39-19-4-6-21-41(39)47(42-22-7-5-20-40(42)46)44-25-12-24-43-37-18-8-9-26-45(37)49-48(43)44/h1-30H.
What are the key properties of 4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran?
4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran has a molecular weight of 622.77 g/mol, XLogP of 13.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 164758444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).