9-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

C46H28O — CID 174167817

IUPAC9-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4c6ccccc6ccc54)c4ccccc34)cc3ccccc23)cc1
InChIInChI=1S/C46H28O/c1-2-12-29(13-3-1)42-27-33(26-31-15-5-6-16-34(31)42)45-39-20-10-8-18-37(39)44(38-19-9-11-21-40(38)45)32-23-24-36-41-25-22-30-14-4-7-17-35(30)46(41)47-43(36)28-32/h1-28H
InChIKeyQQYMJYSXAAZWEB-UHFFFAOYSA-N
MW596.73 g/mol
LogP13.20
Rot. Bonds3

About 9-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

9-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 174167817) has the molecular formula C46H28O and a molecular weight of 596.73 g/mol. Its IUPAC name is 9-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name9-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
PubChem CID174167817
Molecular FormulaC46H28O
Molecular Weight596.73 g/mol
Exact Mass596.21
IUPAC Name9-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4c6ccccc6ccc54)c4ccccc34)cc3ccccc23)cc1
InChIInChI=1S/C46H28O/c1-2-12-29(13-3-1)42-27-33(26-31-15-5-6-16-34(31)42)45-39-20-10-8-18-37(39)44(38-19-9-11-21-40(38)45)32-23-24-36-41-25-22-30-14-4-7-17-35(30)46(41)47-43(36)28-32/h1-28H
InChIKeyQQYMJYSXAAZWEB-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

9-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 118402665
9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433768
7-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 155205375
9-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 134487746
9-[10-[4-(2-triphenylen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174273669
6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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 122425914
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-12,16-dioxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14,17,19,21,23-undecaene
CID 130185583
9-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-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;9-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 159449989
9-[10-(1,3,5,6,7,8-hexadeuterio-4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 170662421
9-[10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 134487734
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
8-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran;8-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
CID 161186579

Frequently Asked Questions

What is the IUPAC name of 9-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The IUPAC name of 9-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (CID 174167817) is 9-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 9-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 9-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is c1ccc(-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4c6ccccc6ccc54)c4ccccc34)cc3ccccc23)cc1.
What is the InChIKey of 9-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The InChIKey is QQYMJYSXAAZWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O/c1-2-12-29(13-3-1)42-27-33(26-31-15-5-6-16-34(31)42)45-39-20-10-8-18-37(39)44(38-19-9-11-21-40(38)45)32-23-24-36-41-25-22-30-14-4-7-17-35(30)46(41)47-43(36)28-32/h1-28H.
What are the key properties of 9-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
9-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran 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 9-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 174167817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).