1-[2-[10-(2-naphtho[1,2-g][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-g][1]benzofuran

C58H34O2 — CID 166545020

IUPAC1-[2-[10-(2-naphtho[1,2-g][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-g][1]benzofuran
SMILESc1ccc(-c2coc3c2ccc2c4ccccc4ccc23)c(-c2c3ccccc3c(-c3ccccc3-c3coc4c3ccc3c5ccccc5ccc34)c3ccccc23)c1
InChIInChI=1S/C58H34O2/c1-3-15-37-35(13-1)25-27-49-41(37)29-31-51-53(33-59-57(49)51)39-17-5-7-19-43(39)55-45-21-9-11-23-47(45)56(48-24-12-10-22-46(48)55)44-20-8-6-18-40(44)54-34-60-58-50-28-26-36-14-2-4-16-38(36)42(50)30-32-52(54)58/h1-34H
InChIKeyPNGISASBNWNXCI-UHFFFAOYSA-N
MW762.91 g/mol
LogP16.77
Rot. Bonds4

About 1-[2-[10-(2-naphtho[1,2-g][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-g][1]benzofuran

1-[2-[10-(2-naphtho[1,2-g][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-g][1]benzofuran (PubChem CID 166545020) has the molecular formula C58H34O2 and a molecular weight of 762.91 g/mol. Its IUPAC name is 1-[2-[10-(2-naphtho[1,2-g][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-g][1]benzofuran.

Molecular Properties

Compound Name1-[2-[10-(2-naphtho[1,2-g][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-g][1]benzofuran
PubChem CID166545020
Molecular FormulaC58H34O2
Molecular Weight762.91 g/mol
Exact Mass762.26
IUPAC Name1-[2-[10-(2-naphtho[1,2-g][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-g][1]benzofuran
SMILESc1ccc(-c2coc3c2ccc2c4ccccc4ccc23)c(-c2c3ccccc3c(-c3ccccc3-c3coc4c3ccc3c5ccccc5ccc34)c3ccccc23)c1
InChIInChI=1S/C58H34O2/c1-3-15-37-35(13-1)25-27-49-41(37)29-31-51-53(33-59-57(49)51)39-17-5-7-19-43(39)55-45-21-9-11-23-47(45)56(48-24-12-10-22-46(48)55)44-20-8-6-18-40(44)54-34-60-58-50-28-26-36-14-2-4-16-38(36)42(50)30-32-52(54)58/h1-34H
InChIKeyPNGISASBNWNXCI-UHFFFAOYSA-N
XLogP16.77
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.91
LogP ≤ 516.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(2-phenylphenyl)benzo[g][1]benzofuran
CID 176856254
3-(2-iodophenyl)benzo[g][1]benzofuran
CID 155128272
undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene
CID 140861554
1-[2-[2-(2,3-diphenyl-9H-fluoren-1-yl)anthracen-1-yl]phenyl]naphtho[1,2-g][1]benzofuran
CID 166544924
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
3-(4-fluorophenyl)benzo[g][1]benzofuran
CID 100994314
3-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]benzo[g][1]benzofuran
CID 174307214
3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene
CID 175811035
3-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran
CID 176743760
2-phenanthren-1-ylfuran
CID 142748745
9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58194514
chrysene;iron
CID 157379031

Frequently Asked Questions

What is the IUPAC name of 1-[2-[10-(2-naphtho[1,2-g][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-g][1]benzofuran?
The IUPAC name of 1-[2-[10-(2-naphtho[1,2-g][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-g][1]benzofuran (CID 166545020) is 1-[2-[10-(2-naphtho[1,2-g][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-g][1]benzofuran.
What is the SMILES notation for 1-[2-[10-(2-naphtho[1,2-g][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-g][1]benzofuran?
The canonical SMILES for 1-[2-[10-(2-naphtho[1,2-g][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-g][1]benzofuran is c1ccc(-c2coc3c2ccc2c4ccccc4ccc23)c(-c2c3ccccc3c(-c3ccccc3-c3coc4c3ccc3c5ccccc5ccc34)c3ccccc23)c1.
What is the InChIKey of 1-[2-[10-(2-naphtho[1,2-g][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-g][1]benzofuran?
The InChIKey is PNGISASBNWNXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34O2/c1-3-15-37-35(13-1)25-27-49-41(37)29-31-51-53(33-59-57(49)51)39-17-5-7-19-43(39)55-45-21-9-11-23-47(45)56(48-24-12-10-22-46(48)55)44-20-8-6-18-40(44)54-34-60-58-50-28-26-36-14-2-4-16-38(36)42(50)30-32-52(54)58/h1-34H.
What are the key properties of 1-[2-[10-(2-naphtho[1,2-g][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-g][1]benzofuran?
1-[2-[10-(2-naphtho[1,2-g][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-g][1]benzofuran has a molecular weight of 762.91 g/mol, XLogP of 16.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[10-(2-naphtho[1,2-g][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-g][1]benzofuran is sourced from PubChem (CID 166545020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).