2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran

C46H28O — CID 58323704

IUPAC2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran
SMILESc1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C46H28O/c1-2-12-29(13-3-1)30-22-24-39-42(26-30)45(32-23-25-44-40(28-32)36-18-10-11-21-43(36)47-44)37-19-8-9-20-38(37)46(39)41-27-31-14-4-5-15-33(31)34-16-6-7-17-35(34)41/h1-28H
InChIKeyINJCUJRZHMIJIU-UHFFFAOYSA-N
MW596.73 g/mol
LogP13.20
Rot. Bonds3

About 2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran

2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran (PubChem CID 58323704) has the molecular formula C46H28O and a molecular weight of 596.73 g/mol. Its IUPAC name is 2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran
PubChem CID58323704
Molecular FormulaC46H28O
Molecular Weight596.73 g/mol
Exact Mass596.21
IUPAC Name2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran
SMILESc1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C46H28O/c1-2-12-29(13-3-1)30-22-24-39-42(26-30)45(32-23-25-44-40(28-32)36-18-10-11-21-43(36)47-44)37-19-8-9-20-38(37)46(39)41-27-31-14-4-5-15-33(31)34-16-6-7-17-35(34)41/h1-28H
InChIKeyINJCUJRZHMIJIU-UHFFFAOYSA-N
XLogP13.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58322844
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
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135
3-[10-[3-[3-[10-(10-dibenzofuran-3-ylanthracen-9-yl)phenanthren-3-yl]phenyl]phenyl]anthracen-9-yl]dibenzofuran
CID 170261010
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
4-(10-dibenzofuran-4-yl-2-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)dibenzofuran;9,10-dinaphthalen-2-yl-2-phenylanthracene;2-(2-phenyl-10-triphenylen-2-ylanthracen-9-yl)triphenylene
CID 158427881
2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
CID 168795842
2-phenyl-10-(10-phenylanthracen-9-yl)phenanthrene
CID 123229235
2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 163616653
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
3-[3-(10-dibenzofuran-4-yl-9-phenanthren-9-ylanthracen-2-yl)-10-phenanthren-9-ylanthracen-9-yl]dibenzofuran
CID 155334308
2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 161333068

Frequently Asked Questions

What is the IUPAC name of 2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran?
The IUPAC name of 2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran (CID 58323704) is 2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran is c1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c3c2)cc1.
What is the InChIKey of 2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran?
The InChIKey is INJCUJRZHMIJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O/c1-2-12-29(13-3-1)30-22-24-39-42(26-30)45(32-23-25-44-40(28-32)36-18-10-11-21-43(36)47-44)37-19-8-9-20-38(37)46(39)41-27-31-14-4-5-15-33(31)34-16-6-7-17-35(34)41/h1-28H.
What are the key properties of 2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran?
2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran has a molecular weight of 596.73 g/mol, XLogP of 13.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 58323704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).