1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran

C50H30O2 — CID 165169659

IUPAC1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran
SMILESc1ccc(-c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c3c2oc2ccccc23)cc1
InChIInChI=1S/C50H30O2/c1-2-14-31(15-3-1)33-16-4-5-17-34(33)40-27-28-42(49-41-23-11-13-25-45(41)52-50(40)49)48-38-21-8-6-19-36(38)47(37-20-7-9-22-39(37)48)32-26-29-46-43(30-32)35-18-10-12-24-44(35)51-46/h1-30H
InChIKeyYQIQICHXOLIWLS-UHFFFAOYSA-N
MW662.79 g/mol
LogP14.46
Rot. Bonds4

About 1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran

1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran (PubChem CID 165169659) has the molecular formula C50H30O2 and a molecular weight of 662.79 g/mol. Its IUPAC name is 1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran.

Molecular Properties

Compound Name1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran
PubChem CID165169659
Molecular FormulaC50H30O2
Molecular Weight662.79 g/mol
Exact Mass662.22
IUPAC Name1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran
SMILESc1ccc(-c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c3c2oc2ccccc23)cc1
InChIInChI=1S/C50H30O2/c1-2-14-31(15-3-1)33-16-4-5-17-34(33)40-27-28-42(49-41-23-11-13-25-45(41)52-50(40)49)48-38-21-8-6-19-36(38)47(37-20-7-9-22-39(37)48)32-26-29-46-43(30-32)35-18-10-12-24-44(35)51-46/h1-30H
InChIKeyYQIQICHXOLIWLS-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

12-(10-dibenzofuran-2-ylanthracen-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 122426682
11-[3-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-5-[1-[10-(4-naphtho[2,1-b][1]benzofuran-11-ylphenyl)anthracen-9-yl]dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran
CID 167085507
1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 174297149
2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050596
4-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyldibenzofuran;2-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;1-phenyl-4-(10-phenylanthracen-9-yl)dibenzofuran;4-phenyl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 159810886
4-dibenzofuran-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzofuran
CID 158249190
2-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[4-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 160925519
4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 154970869
1-(10-phenylanthracen-9-yl)-8-[2-(4-phenylphenyl)phenyl]dibenzofuran
CID 134471897
6-[10-(1-dibenzofuran-2-yldibenzofuran-4-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 146650073
1-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;3-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 157264564
1-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;3-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 164951971

Frequently Asked Questions

What is the IUPAC name of 1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran?
The IUPAC name of 1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran (CID 165169659) is 1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran.
What is the SMILES notation for 1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran?
The canonical SMILES for 1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran is c1ccc(-c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c3c2oc2ccccc23)cc1.
What is the InChIKey of 1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran?
The InChIKey is YQIQICHXOLIWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O2/c1-2-14-31(15-3-1)33-16-4-5-17-34(33)40-27-28-42(49-41-23-11-13-25-45(41)52-50(40)49)48-38-21-8-6-19-36(38)47(37-20-7-9-22-39(37)48)32-26-29-46-43(30-32)35-18-10-12-24-44(35)51-46/h1-30H.
What are the key properties of 1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran?
1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran 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 1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran is sourced from PubChem (CID 165169659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).