4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran

C56H32O2 — CID 135183399

IUPAC4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
SMILESc1ccc2cc3c(cc2c1)oc1c(-c2cccc4c(-c5cccc6ccccc56)c5cccc(-c6cccc7c6oc6cc8ccccc8cc67)c5cc24)cccc13
InChIInChI=1S/C56H32O2/c1-3-15-36-30-52-50(28-34(36)13-1)46-26-10-24-44(55(46)57-52)39-19-8-22-42-48(39)32-49-40(20-9-23-43(49)54(42)41-21-7-17-33-12-5-6-18-38(33)41)45-25-11-27-47-51-29-35-14-2-4-16-37(35)31-53(51)58-56(45)47/h1-32H
InChIKeyBCBPUDUJVIXXJA-UHFFFAOYSA-N
MW736.87 g/mol
LogP16.25
Rot. Bonds3

About 4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran

4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 135183399) has the molecular formula C56H32O2 and a molecular weight of 736.87 g/mol. Its IUPAC name is 4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
PubChem CID135183399
Molecular FormulaC56H32O2
Molecular Weight736.87 g/mol
Exact Mass736.24
IUPAC Name4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
SMILESc1ccc2cc3c(cc2c1)oc1c(-c2cccc4c(-c5cccc6ccccc56)c5cccc(-c6cccc7c6oc6cc8ccccc8cc67)c5cc24)cccc13
InChIInChI=1S/C56H32O2/c1-3-15-36-30-52-50(28-34(36)13-1)46-26-10-24-44(55(46)57-52)39-19-8-22-42-48(39)32-49-40(20-9-23-43(49)54(42)41-21-7-17-33-12-5-6-18-38(33)41)45-25-11-27-47-51-29-35-14-2-4-16-37(35)31-53(51)58-56(45)47/h1-32H
InChIKeyBCBPUDUJVIXXJA-UHFFFAOYSA-N
XLogP16.25
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.87
LogP ≤ 516.25
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-[4,5-bis(9-methylcarbazol-1-yl)anthracen-9-yl]-9-methylcarbazole;4-[4,5-bis(naphtho[2,3-b][1]benzofuran-4-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;4-(4,5-dinaphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
CID 159296479
8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran
CID 155333434
4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 155334696
4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 154595944
4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 88910037
1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 122415544
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 146652642
3-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 122426333
1,10-dinaphthalen-1-ylanthracene
CID 58645117
4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 177094657
4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran
CID 155334125
3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 155335055

Frequently Asked Questions

What is the IUPAC name of 4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran?
The IUPAC name of 4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran (CID 135183399) is 4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran is c1ccc2cc3c(cc2c1)oc1c(-c2cccc4c(-c5cccc6ccccc56)c5cccc(-c6cccc7c6oc6cc8ccccc8cc67)c5cc24)cccc13.
What is the InChIKey of 4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran?
The InChIKey is BCBPUDUJVIXXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32O2/c1-3-15-36-30-52-50(28-34(36)13-1)46-26-10-24-44(55(46)57-52)39-19-8-22-42-48(39)32-49-40(20-9-23-43(49)54(42)41-21-7-17-33-12-5-6-18-38(33)41)45-25-11-27-47-51-29-35-14-2-4-16-37(35)31-53(51)58-56(45)47/h1-32H.
What are the key properties of 4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran?
4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran has a molecular weight of 736.87 g/mol, XLogP of 16.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 135183399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).