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

C42H26O — CID 118402665

IUPAC9-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c(c3)oc3c5ccccc5ccc43)c3ccccc23)cc1
InChIInChI=1S/C42H26O/c1-2-12-27(13-3-1)30-15-6-7-17-33(30)41-36-20-10-8-18-34(36)40(35-19-9-11-21-37(35)41)29-23-24-32-38-25-22-28-14-4-5-16-31(28)42(38)43-39(32)26-29/h1-26H
InChIKeyZHEHWBARYOXNFB-UHFFFAOYSA-N
MW546.67 g/mol
LogP12.05
Rot. Bonds3

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

9-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 118402665) has the molecular formula C42H26O and a molecular weight of 546.67 g/mol. Its IUPAC name is 9-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name9-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
PubChem CID118402665
Molecular FormulaC42H26O
Molecular Weight546.67 g/mol
Exact Mass546.20
IUPAC Name9-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c(c3)oc3c5ccccc5ccc43)c3ccccc23)cc1
InChIInChI=1S/C42H26O/c1-2-12-27(13-3-1)30-15-6-7-17-33(30)41-36-20-10-8-18-34(36)40(35-19-9-11-21-37(35)41)29-23-24-32-38-25-22-28-14-4-5-16-31(28)42(38)43-39(32)26-29/h1-26H
InChIKeyZHEHWBARYOXNFB-UHFFFAOYSA-N
XLogP12.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 512.05
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-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174167817
9-[10-[4-(2-triphenylen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174273669
9-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 134487746
6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 163929828
9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433768
10-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran
CID 122426429
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
8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran
CID 174293136
7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654309
8-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 146651930

Frequently Asked Questions

What is the IUPAC name of 9-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The IUPAC name of 9-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (CID 118402665) is 9-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 9-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 9-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c(c3)oc3c5ccccc5ccc43)c3ccccc23)cc1.
What is the InChIKey of 9-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The InChIKey is ZHEHWBARYOXNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O/c1-2-12-27(13-3-1)30-15-6-7-17-33(30)41-36-20-10-8-18-34(36)40(35-19-9-11-21-37(35)41)29-23-24-32-38-25-22-28-14-4-5-16-31(28)42(38)43-39(32)26-29/h1-26H.
What are the key properties of 9-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
9-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 546.67 g/mol, XLogP of 12.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 118402665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).