1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran

C52H30O2 — CID 164779522

IUPAC1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
SMILESc1cc(-c2c3ccccc3c(-c3ccc4cc5oc6ccccc6c5cc4c3)c3ccccc23)cc(-c2cccc3oc4cc5ccccc5cc4c23)c1
InChIInChI=1S/C52H30O2/c1-2-12-32-29-49-45(27-31(32)11-1)52-38(20-10-22-47(52)54-49)34-13-9-14-35(25-34)50-40-16-3-5-18-42(40)51(43-19-6-4-17-41(43)50)36-24-23-33-30-48-44(28-37(33)26-36)39-15-7-8-21-46(39)53-48/h1-30H
InChIKeyMHFQBUSMKUEUOW-UHFFFAOYSA-N
MW686.81 g/mol
LogP15.10
Rot. Bonds3

About 1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran

1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran (PubChem CID 164779522) has the molecular formula C52H30O2 and a molecular weight of 686.81 g/mol. Its IUPAC name is 1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
PubChem CID164779522
Molecular FormulaC52H30O2
Molecular Weight686.81 g/mol
Exact Mass686.22
IUPAC Name1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
SMILESc1cc(-c2c3ccccc3c(-c3ccc4cc5oc6ccccc6c5cc4c3)c3ccccc23)cc(-c2cccc3oc4cc5ccccc5cc4c23)c1
InChIInChI=1S/C52H30O2/c1-2-12-32-29-49-45(27-31(32)11-1)52-38(20-10-22-47(52)54-49)34-13-9-14-35(25-34)50-40-16-3-5-18-42(40)51(43-19-6-4-17-41(43)50)36-24-23-33-30-48-44(28-37(33)26-36)39-15-7-8-21-46(39)53-48/h1-30H
InChIKeyMHFQBUSMKUEUOW-UHFFFAOYSA-N
XLogP15.10
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.81
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 164779542
9-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 146652375
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916
8-[9-[10-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenanthren-3-yl]-1-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 167077211
2-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran
CID 58323672
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 118563907
1-[3-[10-(4-deuterionaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 170653499
7-[4-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 130188835
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 176862831
1-[10-(4-fluorophenyl)anthracen-9-yl]-8-(10-naphtho[2,3-b][1]benzofuran-1-yl-9-naphtho[2,3-b][1]benzofuran-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran
CID 167077280
1-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;3-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 159387963
1-[3-[10-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 170653462

Frequently Asked Questions

What is the IUPAC name of 1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran (CID 164779522) is 1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran is c1cc(-c2c3ccccc3c(-c3ccc4cc5oc6ccccc6c5cc4c3)c3ccccc23)cc(-c2cccc3oc4cc5ccccc5cc4c23)c1.
What is the InChIKey of 1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran?
The InChIKey is MHFQBUSMKUEUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30O2/c1-2-12-32-29-49-45(27-31(32)11-1)52-38(20-10-22-47(52)54-49)34-13-9-14-35(25-34)50-40-16-3-5-18-42(40)51(43-19-6-4-17-41(43)50)36-24-23-33-30-48-44(28-37(33)26-36)39-15-7-8-21-46(39)53-48/h1-30H.
What are the key properties of 1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran?
1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran has a molecular weight of 686.81 g/mol, XLogP of 15.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 164779522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).