2-naphthalen-1-yl-6-(2,3,6-trideuterio-10-phenylanthracen-9-yl)dibenzofuran

C42H26O — CID 162423630

IUPAC2-naphthalen-1-yl-6-(2,3,6-trideuterio-10-phenylanthracen-9-yl)dibenzofuran
SMILES[2H]c1ccc2c(-c3cccc4c3oc3ccc(-c5cccc6ccccc56)cc34)c3cc([2H])c([2H])cc3c(-c3ccccc3)c2c1
InChIInChI=1S/C42H26O/c1-2-13-28(14-3-1)40-32-17-6-8-19-34(32)41(35-20-9-7-18-33(35)40)37-23-11-22-36-38-26-29(24-25-39(38)43-42(36)37)31-21-10-15-27-12-4-5-16-30(27)31/h1-26H/i6D,7D,8D
InChIKeyLNYPYJYLQHCQIB-AYBVGXBASA-N
MW549.69 g/mol
LogP12.05
Rot. Bonds3

About 2-naphthalen-1-yl-6-(2,3,6-trideuterio-10-phenylanthracen-9-yl)dibenzofuran

2-naphthalen-1-yl-6-(2,3,6-trideuterio-10-phenylanthracen-9-yl)dibenzofuran (PubChem CID 162423630) has the molecular formula C42H26O and a molecular weight of 549.69 g/mol. Its IUPAC name is 2-naphthalen-1-yl-6-(2,3,6-trideuterio-10-phenylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name2-naphthalen-1-yl-6-(2,3,6-trideuterio-10-phenylanthracen-9-yl)dibenzofuran
PubChem CID162423630
Molecular FormulaC42H26O
Molecular Weight549.69 g/mol
Exact Mass549.22
IUPAC Name2-naphthalen-1-yl-6-(2,3,6-trideuterio-10-phenylanthracen-9-yl)dibenzofuran
SMILES[2H]c1ccc2c(-c3cccc4c3oc3ccc(-c5cccc6ccccc56)cc34)c3cc([2H])c([2H])cc3c(-c3ccccc3)c2c1
InChIInChI=1S/C42H26O/c1-2-13-28(14-3-1)40-32-17-6-8-19-34(32)41(35-20-9-7-18-33(35)40)37-23-11-22-36-38-26-29(24-25-39(38)43-42(36)37)31-21-10-15-27-12-4-5-16-30(27)31/h1-26H/i6D,7D,8D
InChIKeyLNYPYJYLQHCQIB-AYBVGXBASA-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 ≤ 500549.69
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

2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-6-phenyldibenzofuran
CID 171449649
8-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran
CID 159518603
8-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433616
6-naphthalen-2-yl-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran
CID 165169697
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
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 158628764
2-[2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 158349201
4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 155334696
8-naphthalen-1-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167407345
2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran
CID 167592116
8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran
CID 174293136
2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran
CID 168795775

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-6-(2,3,6-trideuterio-10-phenylanthracen-9-yl)dibenzofuran?
The IUPAC name of 2-naphthalen-1-yl-6-(2,3,6-trideuterio-10-phenylanthracen-9-yl)dibenzofuran (CID 162423630) is 2-naphthalen-1-yl-6-(2,3,6-trideuterio-10-phenylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 2-naphthalen-1-yl-6-(2,3,6-trideuterio-10-phenylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 2-naphthalen-1-yl-6-(2,3,6-trideuterio-10-phenylanthracen-9-yl)dibenzofuran is [2H]c1ccc2c(-c3cccc4c3oc3ccc(-c5cccc6ccccc56)cc34)c3cc([2H])c([2H])cc3c(-c3ccccc3)c2c1.
What is the InChIKey of 2-naphthalen-1-yl-6-(2,3,6-trideuterio-10-phenylanthracen-9-yl)dibenzofuran?
The InChIKey is LNYPYJYLQHCQIB-AYBVGXBASA-N. The full InChI is InChI=1S/C42H26O/c1-2-13-28(14-3-1)40-32-17-6-8-19-34(32)41(35-20-9-7-18-33(35)40)37-23-11-22-36-38-26-29(24-25-39(38)43-42(36)37)31-21-10-15-27-12-4-5-16-30(27)31/h1-26H/i6D,7D,8D.
What are the key properties of 2-naphthalen-1-yl-6-(2,3,6-trideuterio-10-phenylanthracen-9-yl)dibenzofuran?
2-naphthalen-1-yl-6-(2,3,6-trideuterio-10-phenylanthracen-9-yl)dibenzofuran has a molecular weight of 549.69 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 2-naphthalen-1-yl-6-(2,3,6-trideuterio-10-phenylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 162423630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).