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

C50H30O — CID 88569060

IUPAC3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6c(c5)oc5cc7ccccc7cc56)ccc34)ccc2c1
InChIInChI=1S/C50H30O/c1-3-11-33-25-39(19-17-31(33)9-1)49-42-15-7-8-16-43(42)50(40-20-18-32-10-2-4-12-34(32)26-40)46-28-37(22-24-44(46)49)38-21-23-41-45-27-35-13-5-6-14-36(35)29-48(45)51-47(41)30-38/h1-30H
InChIKeyFYBOLMOJLPFFHZ-UHFFFAOYSA-N
MW646.79 g/mol
LogP14.35
Rot. Bonds3

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

3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 88569060) has the molecular formula C50H30O and a molecular weight of 646.79 g/mol. Its IUPAC name is 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran
PubChem CID88569060
Molecular FormulaC50H30O
Molecular Weight646.79 g/mol
Exact Mass646.23
IUPAC Name3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6c(c5)oc5cc7ccccc7cc56)ccc34)ccc2c1
InChIInChI=1S/C50H30O/c1-3-11-33-25-39(19-17-31(33)9-1)49-42-15-7-8-16-43(42)50(40-20-18-32-10-2-4-12-34(32)26-40)46-28-37(22-24-44(46)49)38-21-23-41-45-27-35-13-5-6-14-36(35)29-48(45)51-47(41)30-38/h1-30H
InChIKeyFYBOLMOJLPFFHZ-UHFFFAOYSA-N
XLogP14.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.79
LogP ≤ 514.35
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-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402714
2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 174315687
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
9-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 158942554
7-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;7-phenyl-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 164972218
2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402744
3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 158492616
2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran
CID 58194354
6-(10-naphthalen-2-ylanthracen-9-yl)-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene
CID 130212342
2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 160681067
2-(3,10-diphenylanthracen-9-yl)dibenzofuran;2-(2,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)dibenzofuran;2-(2-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;8-(10-naphtho[1,2-b][1]benzofuran-8-yl-2-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 167547924
2-(3,10-diphenylanthracen-9-yl)dibenzofuran;2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;8-(10-naphtho[1,2-b][1]benzofuran-8-yl-2-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 159706352

Frequently Asked Questions

What is the IUPAC name of 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran?
The IUPAC name of 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran (CID 88569060) is 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran is c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6c(c5)oc5cc7ccccc7cc56)ccc34)ccc2c1.
What is the InChIKey of 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran?
The InChIKey is FYBOLMOJLPFFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O/c1-3-11-33-25-39(19-17-31(33)9-1)49-42-15-7-8-16-43(42)50(40-20-18-32-10-2-4-12-34(32)26-40)46-28-37(22-24-44(46)49)38-21-23-41-45-27-35-13-5-6-14-36(35)29-48(45)51-47(41)30-38/h1-30H.
What are the key properties of 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran?
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran has a molecular weight of 646.79 g/mol, XLogP of 14.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 88569060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).