1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran

C38H22O2 — CID 174306507

IUPAC1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc2c(c1)ccc1occ(-c3c4ccccc4c(-c4cccc5oc6ccccc6c45)c4ccccc34)c12
InChIInChI=1S/C38H22O2/c1-2-11-24-23(10-1)20-21-33-37(24)31(22-39-33)36-27-14-5-3-12-25(27)35(26-13-4-6-15-28(26)36)30-17-9-19-34-38(30)29-16-7-8-18-32(29)40-34/h1-22H
InChIKeyBNBINSPHFKBWBH-UHFFFAOYSA-N
MW510.59 g/mol
LogP11.13
Rot. Bonds2

About 1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran

1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran (PubChem CID 174306507) has the molecular formula C38H22O2 and a molecular weight of 510.59 g/mol. Its IUPAC name is 1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran
PubChem CID174306507
Molecular FormulaC38H22O2
Molecular Weight510.59 g/mol
Exact Mass510.16
IUPAC Name1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc2c(c1)ccc1occ(-c3c4ccccc4c(-c4cccc5oc6ccccc6c45)c4ccccc34)c12
InChIInChI=1S/C38H22O2/c1-2-11-24-23(10-1)20-21-33-37(24)31(22-39-33)36-27-14-5-3-12-25(27)35(26-13-4-6-15-28(26)36)30-17-9-19-34-38(30)29-16-7-8-18-32(29)40-34/h1-22H
InChIKeyBNBINSPHFKBWBH-UHFFFAOYSA-N
XLogP11.13
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran 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

1-(10-dibenzofuran-1-ylanthracen-9-yl)-7-phenylbenzo[e][1]benzofuran
CID 174306635
4-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)-2-phenyl-1,3-benzoxazole
CID 174306972
2-(10-dibenzofuran-1-ylanthracen-9-yl)-1-phenylbenzo[e][1]benzofuran
CID 174307533
1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 170448028
11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran
CID 170209534
4-(10-phenanthren-4-ylanthracen-9-yl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177265069
1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran
CID 175881286
1-[10-(2-pyren-1-ylphenyl)anthracen-9-yl]dibenzofuran
CID 155454341
1-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
CID 176744543
1-(10-dibenzothiophen-4-ylanthracen-9-yl)-[1]benzofuro[3,2-e][1]benzofuran
CID 176745958
7-(10-dibenzofuran-1-ylanthracen-9-yl)-1-naphthalen-2-yl-[1]benzofuro[5,6-b][1]benzofuran
CID 176745557
1-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]dibenzofuran
CID 122425655

Frequently Asked Questions

What is the IUPAC name of 1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran?
The IUPAC name of 1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran (CID 174306507) is 1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran is c1ccc2c(c1)ccc1occ(-c3c4ccccc4c(-c4cccc5oc6ccccc6c45)c4ccccc34)c12.
What is the InChIKey of 1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran?
The InChIKey is BNBINSPHFKBWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22O2/c1-2-11-24-23(10-1)20-21-33-37(24)31(22-39-33)36-27-14-5-3-12-25(27)35(26-13-4-6-15-28(26)36)30-17-9-19-34-38(30)29-16-7-8-18-32(29)40-34/h1-22H.
What are the key properties of 1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran?
1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran has a molecular weight of 510.59 g/mol, XLogP of 11.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 174306507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).