2-(10-naphthalen-1-yl-3-naphthalen-2-yl-1,2-dihydroanthracen-9-yl)dibenzofuran

C46H30O — CID 167515770

IUPAC2-(10-naphthalen-1-yl-3-naphthalen-2-yl-1,2-dihydroanthracen-9-yl)dibenzofuran
SMILESC1=C(c2ccc3ccccc3c2)CCc2c1c(-c1cccc3ccccc13)c1ccccc1c2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C46H30O/c1-2-12-31-26-32(21-20-29(31)10-1)33-22-24-40-42(27-33)46(37-18-9-13-30-11-3-4-14-35(30)37)39-17-6-5-16-38(39)45(40)34-23-25-44-41(28-34)36-15-7-8-19-43(36)47-44/h1-21,23,25-28H,22,24H2
InChIKeyBRDVBBXOFIXYRX-UHFFFAOYSA-N
MW598.75 g/mol
LogP12.87
Rot. Bonds3

About 2-(10-naphthalen-1-yl-3-naphthalen-2-yl-1,2-dihydroanthracen-9-yl)dibenzofuran

2-(10-naphthalen-1-yl-3-naphthalen-2-yl-1,2-dihydroanthracen-9-yl)dibenzofuran (PubChem CID 167515770) has the molecular formula C46H30O and a molecular weight of 598.75 g/mol. Its IUPAC name is 2-(10-naphthalen-1-yl-3-naphthalen-2-yl-1,2-dihydroanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name2-(10-naphthalen-1-yl-3-naphthalen-2-yl-1,2-dihydroanthracen-9-yl)dibenzofuran
PubChem CID167515770
Molecular FormulaC46H30O
Molecular Weight598.75 g/mol
Exact Mass598.23
IUPAC Name2-(10-naphthalen-1-yl-3-naphthalen-2-yl-1,2-dihydroanthracen-9-yl)dibenzofuran
SMILESC1=C(c2ccc3ccccc3c2)CCc2c1c(-c1cccc3ccccc13)c1ccccc1c2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C46H30O/c1-2-12-31-26-32(21-20-29(31)10-1)33-22-24-40-42(27-33)46(37-18-9-13-30-11-3-4-14-35(30)37)39-17-6-5-16-38(39)45(40)34-23-25-44-41(28-34)36-15-7-8-19-43(36)47-44/h1-21,23,25-28H,22,24H2
InChIKeyBRDVBBXOFIXYRX-UHFFFAOYSA-N
XLogP12.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448218
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-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
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
2-[4-(3-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58323246
2-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran
CID 58323672
2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran
CID 174296945
2-(4,5-diphenylanthracen-9-yl)dibenzofuran;10-naphthalen-1-yl-1,8-bis(4-phenylphenyl)anthracene;10-naphthalen-1-yl-1,8-diphenylanthracene;1,8,10-trinaphthalen-2-ylanthracene;1,8,10-tris(4-phenylphenyl)anthracene
CID 163912161
2-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 161091180
2-[2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536112
2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran
CID 58322852
deuterium monohydride;2-[10-(7-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;2-[10-[7-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 163644950

Frequently Asked Questions

What is the IUPAC name of 2-(10-naphthalen-1-yl-3-naphthalen-2-yl-1,2-dihydroanthracen-9-yl)dibenzofuran?
The IUPAC name of 2-(10-naphthalen-1-yl-3-naphthalen-2-yl-1,2-dihydroanthracen-9-yl)dibenzofuran (CID 167515770) is 2-(10-naphthalen-1-yl-3-naphthalen-2-yl-1,2-dihydroanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 2-(10-naphthalen-1-yl-3-naphthalen-2-yl-1,2-dihydroanthracen-9-yl)dibenzofuran?
The canonical SMILES for 2-(10-naphthalen-1-yl-3-naphthalen-2-yl-1,2-dihydroanthracen-9-yl)dibenzofuran is C1=C(c2ccc3ccccc3c2)CCc2c1c(-c1cccc3ccccc13)c1ccccc1c2-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-(10-naphthalen-1-yl-3-naphthalen-2-yl-1,2-dihydroanthracen-9-yl)dibenzofuran?
The InChIKey is BRDVBBXOFIXYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30O/c1-2-12-31-26-32(21-20-29(31)10-1)33-22-24-40-42(27-33)46(37-18-9-13-30-11-3-4-14-35(30)37)39-17-6-5-16-38(39)45(40)34-23-25-44-41(28-34)36-15-7-8-19-43(36)47-44/h1-21,23,25-28H,22,24H2.
What are the key properties of 2-(10-naphthalen-1-yl-3-naphthalen-2-yl-1,2-dihydroanthracen-9-yl)dibenzofuran?
2-(10-naphthalen-1-yl-3-naphthalen-2-yl-1,2-dihydroanthracen-9-yl)dibenzofuran has a molecular weight of 598.75 g/mol, XLogP of 12.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-naphthalen-1-yl-3-naphthalen-2-yl-1,2-dihydroanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 167515770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).