1-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran

C48H28O2 — CID 176744193

IUPAC1-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc(-c2oc3cc4c(cc3c2-c2c3ccccc3c(-c3cc5ccccc5c5ccccc35)c3ccccc23)oc2ccccc24)cc1
InChIInChI=1S/C48H28O2/c1-2-14-29(15-3-1)48-47(41-28-43-39(27-44(41)50-48)34-20-12-13-25-42(34)49-43)46-37-23-10-8-21-35(37)45(36-22-9-11-24-38(36)46)40-26-30-16-4-5-17-31(30)32-18-6-7-19-33(32)40/h1-28H
InChIKeyMGDQYZQYDMOZGJ-UHFFFAOYSA-N
MW636.75 g/mol
LogP13.95
Rot. Bonds3

About 1-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran

1-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran (PubChem CID 176744193) has the molecular formula C48H28O2 and a molecular weight of 636.75 g/mol. Its IUPAC name is 1-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran.

Molecular Properties

Compound Name1-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran
PubChem CID176744193
Molecular FormulaC48H28O2
Molecular Weight636.75 g/mol
Exact Mass636.21
IUPAC Name1-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc(-c2oc3cc4c(cc3c2-c2c3ccccc3c(-c3cc5ccccc5c5ccccc35)c3ccccc23)oc2ccccc24)cc1
InChIInChI=1S/C48H28O2/c1-2-14-29(15-3-1)48-47(41-28-43-39(27-44(41)50-48)34-20-12-13-25-42(34)49-43)46-37-23-10-8-21-35(37)45(36-22-9-11-24-38(36)46)40-26-30-16-4-5-17-31(30)32-18-6-7-19-33(32)40/h1-28H
InChIKeyMGDQYZQYDMOZGJ-UHFFFAOYSA-N
XLogP13.95
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.75
LogP ≤ 513.95
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

6-(10-phenanthren-9-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176743914
21-phenanthren-9-yl-14-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 130208112
1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176744536
2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran
CID 58323704
14-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 123605957
6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176743305
6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176744195
9-phenyl-3-[10-(2-phenyl-[1]benzofuro[5,6-b][1]benzofuran-1-yl)anthracen-9-yl]carbazole
CID 176743067
3-[10-[3-[3-[10-(10-dibenzofuran-3-ylanthracen-9-yl)phenanthren-3-yl]phenyl]phenyl]anthracen-9-yl]dibenzofuran
CID 170261010
1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[3,2-e][1]benzofuran
CID 176744978
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
8-(10-dibenzofuran-3-ylanthracen-9-yl)-2,3-diphenyl-[1]benzofuro[6,5-b][1]benzofuran
CID 176745348

Frequently Asked Questions

What is the IUPAC name of 1-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran?
The IUPAC name of 1-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran (CID 176744193) is 1-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran.
What is the SMILES notation for 1-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran?
The canonical SMILES for 1-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran is c1ccc(-c2oc3cc4c(cc3c2-c2c3ccccc3c(-c3cc5ccccc5c5ccccc35)c3ccccc23)oc2ccccc24)cc1.
What is the InChIKey of 1-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran?
The InChIKey is MGDQYZQYDMOZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28O2/c1-2-14-29(15-3-1)48-47(41-28-43-39(27-44(41)50-48)34-20-12-13-25-42(34)49-43)46-37-23-10-8-21-35(37)45(36-22-9-11-24-38(36)46)40-26-30-16-4-5-17-31(30)32-18-6-7-19-33(32)40/h1-28H.
What are the key properties of 1-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran?
1-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran has a molecular weight of 636.75 g/mol, XLogP of 13.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran is sourced from PubChem (CID 176744193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).