7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran

C42H28O — CID 155205350

IUPAC7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
SMILESC1=Cc2ccc3c(oc4cccc(-c5c6ccccc6c(-c6ccccc6-c6ccccc6)c6ccccc56)c43)c2CC1
InChIInChI=1S/C42H28O/c1-2-13-27(14-3-1)29-16-6-7-18-31(29)39-32-19-8-10-21-34(32)40(35-22-11-9-20-33(35)39)36-23-12-24-38-41(36)37-26-25-28-15-4-5-17-30(28)42(37)43-38/h1-4,6-16,18-26H,5,17H2
InChIKeyZEHLOISXWWWLAM-UHFFFAOYSA-N
MW548.69 g/mol
LogP11.85
Rot. Bonds3

About 7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran

7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran (PubChem CID 155205350) has the molecular formula C42H28O and a molecular weight of 548.69 g/mol. Its IUPAC name is 7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
PubChem CID155205350
Molecular FormulaC42H28O
Molecular Weight548.69 g/mol
Exact Mass548.21
IUPAC Name7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
SMILESC1=Cc2ccc3c(oc4cccc(-c5c6ccccc6c(-c6ccccc6-c6ccccc6)c6ccccc56)c43)c2CC1
InChIInChI=1S/C42H28O/c1-2-13-27(14-3-1)29-16-6-7-18-31(29)39-32-19-8-10-21-34(32)40(35-22-11-9-20-33(35)39)36-23-12-24-38-41(36)37-26-25-28-15-4-5-17-30(28)42(37)43-38/h1-4,6-16,18-26H,5,17H2
InChIKeyZEHLOISXWWWLAM-UHFFFAOYSA-N
XLogP11.85
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
CID 155205865
7-[10-(7,8-dihydrophenanthren-9-yl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
CID 155205203
6-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[4,5-b][1]benzofuran
CID 176743583
1-(10-phenylanthracen-9-yl)-6-(2-phenylphenyl)dibenzofuran
CID 134169518
9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 175630373
7-[10-(2-phenylphenyl)-3,4-dihydroanthracen-9-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 144583429
4-[10-(2-phenylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 167187249
1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176777662
6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 87631578
5-(10-phenyl-1,2-dihydroanthracen-9-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 174288134
1,6-diphenyldibenzofuran
CID 145331756
2-[6-(1,2-dihydronaphtho[2,1-b][1]benzofuran-8-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 170220980

Frequently Asked Questions

What is the IUPAC name of 7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran?
The IUPAC name of 7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran (CID 155205350) is 7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran?
The canonical SMILES for 7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran is C1=Cc2ccc3c(oc4cccc(-c5c6ccccc6c(-c6ccccc6-c6ccccc6)c6ccccc56)c43)c2CC1.
What is the InChIKey of 7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran?
The InChIKey is ZEHLOISXWWWLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28O/c1-2-13-27(14-3-1)29-16-6-7-18-31(29)39-32-19-8-10-21-34(32)40(35-22-11-9-20-33(35)39)36-23-12-24-38-41(36)37-26-25-28-15-4-5-17-30(28)42(37)43-38/h1-4,6-16,18-26H,5,17H2.
What are the key properties of 7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran?
7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran has a molecular weight of 548.69 g/mol, XLogP of 11.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 155205350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).