4-(10-dibenzofuran-4-ylanthracen-9-yl)-2-(4-phenylphenyl)benzo[e][1]benzofuran

C50H30O2 — CID 174307459

IUPAC4-(10-dibenzofuran-4-ylanthracen-9-yl)-2-(4-phenylphenyl)benzo[e][1]benzofuran
SMILESc1ccc(-c2ccc(-c3cc4c(o3)c(-c3c5ccccc5c(-c5cccc6c5oc5ccccc56)c5ccccc35)cc3ccccc34)cc2)cc1
InChIInChI=1S/C50H30O2/c1-2-13-31(14-3-1)32-25-27-33(28-26-32)46-30-43-35-16-5-4-15-34(35)29-44(50(43)52-46)48-39-20-8-6-18-37(39)47(38-19-7-9-21-40(38)48)42-23-12-22-41-36-17-10-11-24-45(36)51-49(41)42/h1-30H
InChIKeySOTXRFMTSNSUKC-UHFFFAOYSA-N
MW662.79 g/mol
LogP14.46
Rot. Bonds4

About 4-(10-dibenzofuran-4-ylanthracen-9-yl)-2-(4-phenylphenyl)benzo[e][1]benzofuran

4-(10-dibenzofuran-4-ylanthracen-9-yl)-2-(4-phenylphenyl)benzo[e][1]benzofuran (PubChem CID 174307459) has the molecular formula C50H30O2 and a molecular weight of 662.79 g/mol. Its IUPAC name is 4-(10-dibenzofuran-4-ylanthracen-9-yl)-2-(4-phenylphenyl)benzo[e][1]benzofuran.

Molecular Properties

Compound Name4-(10-dibenzofuran-4-ylanthracen-9-yl)-2-(4-phenylphenyl)benzo[e][1]benzofuran
PubChem CID174307459
Molecular FormulaC50H30O2
Molecular Weight662.79 g/mol
Exact Mass662.22
IUPAC Name4-(10-dibenzofuran-4-ylanthracen-9-yl)-2-(4-phenylphenyl)benzo[e][1]benzofuran
SMILESc1ccc(-c2ccc(-c3cc4c(o3)c(-c3c5ccccc5c(-c5cccc6c5oc5ccccc56)c5ccccc35)cc3ccccc34)cc2)cc1
InChIInChI=1S/C50H30O2/c1-2-13-31(14-3-1)32-25-27-33(28-26-32)46-30-43-35-16-5-4-15-34(35)29-44(50(43)52-46)48-39-20-8-6-18-37(39)47(38-19-7-9-21-40(38)48)42-23-12-22-41-36-17-10-11-24-45(36)51-49(41)42/h1-30H
InChIKeySOTXRFMTSNSUKC-UHFFFAOYSA-N
XLogP14.46
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.79
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 164758444
4-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran
CID 176745684
4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 146652639
4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 158958080
4-anthracen-9-yldibenzofuran
CID 167187282
8-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176745042
4-(3-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)dibenzofuran
CID 58323221
4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 166928345
3-[3-(10-dibenzofuran-4-yl-9-phenanthren-9-ylanthracen-2-yl)-10-phenanthren-9-ylanthracen-9-yl]dibenzofuran
CID 155334308
4-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[7,6-b][1]benzofuran
CID 176744232
4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 58194573
9-naphthalen-1-yl-10-[4-(6-phenylnaphthalen-2-yl)phenyl]anthracene;9-[6-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[3-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]dibenzofuran
CID 165012926

Frequently Asked Questions

What is the IUPAC name of 4-(10-dibenzofuran-4-ylanthracen-9-yl)-2-(4-phenylphenyl)benzo[e][1]benzofuran?
The IUPAC name of 4-(10-dibenzofuran-4-ylanthracen-9-yl)-2-(4-phenylphenyl)benzo[e][1]benzofuran (CID 174307459) is 4-(10-dibenzofuran-4-ylanthracen-9-yl)-2-(4-phenylphenyl)benzo[e][1]benzofuran.
What is the SMILES notation for 4-(10-dibenzofuran-4-ylanthracen-9-yl)-2-(4-phenylphenyl)benzo[e][1]benzofuran?
The canonical SMILES for 4-(10-dibenzofuran-4-ylanthracen-9-yl)-2-(4-phenylphenyl)benzo[e][1]benzofuran is c1ccc(-c2ccc(-c3cc4c(o3)c(-c3c5ccccc5c(-c5cccc6c5oc5ccccc56)c5ccccc35)cc3ccccc34)cc2)cc1.
What is the InChIKey of 4-(10-dibenzofuran-4-ylanthracen-9-yl)-2-(4-phenylphenyl)benzo[e][1]benzofuran?
The InChIKey is SOTXRFMTSNSUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O2/c1-2-13-31(14-3-1)32-25-27-33(28-26-32)46-30-43-35-16-5-4-15-34(35)29-44(50(43)52-46)48-39-20-8-6-18-37(39)47(38-19-7-9-21-40(38)48)42-23-12-22-41-36-17-10-11-24-45(36)51-49(41)42/h1-30H.
What are the key properties of 4-(10-dibenzofuran-4-ylanthracen-9-yl)-2-(4-phenylphenyl)benzo[e][1]benzofuran?
4-(10-dibenzofuran-4-ylanthracen-9-yl)-2-(4-phenylphenyl)benzo[e][1]benzofuran has a molecular weight of 662.79 g/mol, XLogP of 14.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-dibenzofuran-4-ylanthracen-9-yl)-2-(4-phenylphenyl)benzo[e][1]benzofuran is sourced from PubChem (CID 174307459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).