2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran

C52H32O — CID 162491053

IUPAC2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5oc6ccccc6c5c4)c4ccccc4c3)c3ccccc23)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C52H32O/c1-2-14-34-29-36(26-25-33(34)13-1)39-16-5-6-19-42(39)52-45-22-9-7-20-43(45)51(44-21-8-10-23-46(44)52)38-30-35-15-3-4-17-40(35)47(32-38)37-27-28-50-48(31-37)41-18-11-12-24-49(41)53-50/h1-32H
InChIKeyGULMDXUUYQZPNE-UHFFFAOYSA-N
MW672.83 g/mol
LogP14.87
Rot. Bonds4

About 2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran

2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran (PubChem CID 162491053) has the molecular formula C52H32O and a molecular weight of 672.83 g/mol. Its IUPAC name is 2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran.

Molecular Properties

Compound Name2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
PubChem CID162491053
Molecular FormulaC52H32O
Molecular Weight672.83 g/mol
Exact Mass672.25
IUPAC Name2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5oc6ccccc6c5c4)c4ccccc4c3)c3ccccc23)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C52H32O/c1-2-14-34-29-36(26-25-33(34)13-1)39-16-5-6-19-42(39)52-45-22-9-7-20-43(45)51(44-21-8-10-23-46(44)52)38-30-35-15-3-4-17-40(35)47(32-38)37-27-28-50-48(31-37)41-18-11-12-24-49(41)53-50/h1-32H
InChIKeyGULMDXUUYQZPNE-UHFFFAOYSA-N
XLogP14.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.83
LogP ≤ 514.87
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

2-[2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536112
2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran
CID 174296945
2-[3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 146652604
2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 163725352
2-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran
CID 58323672
2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448218
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)dibenzofuran
CID 161162681
2-[2-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536204
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167561515
6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427142
2-[4-(3-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58323246
2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 160678336

Frequently Asked Questions

What is the IUPAC name of 2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran?
The IUPAC name of 2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran (CID 162491053) is 2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran.
What is the SMILES notation for 2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran?
The canonical SMILES for 2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran is c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5oc6ccccc6c5c4)c4ccccc4c3)c3ccccc23)c(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran?
The InChIKey is GULMDXUUYQZPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32O/c1-2-14-34-29-36(26-25-33(34)13-1)39-16-5-6-19-42(39)52-45-22-9-7-20-43(45)51(44-21-8-10-23-46(44)52)38-30-35-15-3-4-17-40(35)47(32-38)37-27-28-50-48(31-37)41-18-11-12-24-49(41)53-50/h1-32H.
What are the key properties of 2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran?
2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran has a molecular weight of 672.83 g/mol, XLogP of 14.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran is sourced from PubChem (CID 162491053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).