2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran

C46H28O — CID 58322852

IUPAC2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran
SMILESc1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5ccc6oc7ccccc7c6c5)ccc34)cccc2c1
InChIInChI=1S/C46H28O/c1-3-15-33-29(11-1)13-9-20-36(33)45-38-18-5-6-19-39(38)46(37-21-10-14-30-12-2-4-16-34(30)37)42-28-31(23-25-40(42)45)32-24-26-44-41(27-32)35-17-7-8-22-43(35)47-44/h1-28H
InChIKeyXJOBDVYTQGVLHU-UHFFFAOYSA-N
MW596.73 g/mol
LogP13.20
Rot. Bonds3

About 2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran

2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran (PubChem CID 58322852) has the molecular formula C46H28O and a molecular weight of 596.73 g/mol. Its IUPAC name is 2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran.

Molecular Properties

Compound Name2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran
PubChem CID58322852
Molecular FormulaC46H28O
Molecular Weight596.73 g/mol
Exact Mass596.21
IUPAC Name2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran
SMILESc1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5ccc6oc7ccccc7c6c5)ccc34)cccc2c1
InChIInChI=1S/C46H28O/c1-3-15-33-29(11-1)13-9-20-36(33)45-38-18-5-6-19-39(38)46(37-21-10-14-30-12-2-4-16-34(30)37)42-28-31(23-25-40(42)45)32-24-26-44-41(27-32)35-17-7-8-22-43(35)47-44/h1-28H
InChIKeyXJOBDVYTQGVLHU-UHFFFAOYSA-N
XLogP13.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 513.20
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-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58322991
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58322844
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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 122426272
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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 122426263
2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran
CID 143914037
2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448218
2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 167060905
2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran
CID 168795775
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-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536122
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

Frequently Asked Questions

What is the IUPAC name of 2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran?
The IUPAC name of 2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran (CID 58322852) is 2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran.
What is the SMILES notation for 2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran?
The canonical SMILES for 2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran is c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5ccc6oc7ccccc7c6c5)ccc34)cccc2c1.
What is the InChIKey of 2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran?
The InChIKey is XJOBDVYTQGVLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O/c1-3-15-33-29(11-1)13-9-20-36(33)45-38-18-5-6-19-39(38)46(37-21-10-14-30-12-2-4-16-34(30)37)42-28-31(23-25-40(42)45)32-24-26-44-41(27-32)35-17-7-8-22-43(35)47-44/h1-28H.
What are the key properties of 2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran?
2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran has a molecular weight of 596.73 g/mol, XLogP of 13.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran is sourced from PubChem (CID 58322852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).