2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran

C46H28O — CID 58194595

IUPAC2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3ccc4ccc5ccccc5c4c3)c3ccccc23)c1
InChIInChI=1S/C46H28O/c1-2-13-35-29(10-1)20-21-30-22-23-34(28-41(30)35)46-39-17-5-3-15-37(39)45(38-16-4-6-18-40(38)46)33-12-9-11-31(26-33)32-24-25-44-42(27-32)36-14-7-8-19-43(36)47-44/h1-28H
InChIKeyFZSGBFFLABWCBC-UHFFFAOYSA-N
MW596.73 g/mol
LogP13.20
Rot. Bonds3

About 2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran

2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 58194595) has the molecular formula C46H28O and a molecular weight of 596.73 g/mol. Its IUPAC name is 2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran
PubChem CID58194595
Molecular FormulaC46H28O
Molecular Weight596.73 g/mol
Exact Mass596.21
IUPAC Name2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3ccc4ccc5ccccc5c4c3)c3ccccc23)c1
InChIInChI=1S/C46H28O/c1-2-13-35-29(10-1)20-21-30-22-23-34(28-41(30)35)46-39-17-5-3-15-37(39)45(38-16-4-6-18-40(38)46)33-12-9-11-31(26-33)32-24-25-44-42(27-32)36-14-7-8-19-43(36)47-44/h1-28H
InChIKeyFZSGBFFLABWCBC-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

9-(3-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165028790
2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran
CID 143914037
2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 59866524
9-naphthalen-2-yl-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(3-phenanthren-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenanthren-2-ylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;2-[3-[10-(3-phenanthren-3-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(3-phenanthren-3-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 158302263
2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58322844
6-[3-(10-phenylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415782
2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran
CID 58194354
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 88568836
2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448218
7-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 88568845
10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 88568907

Frequently Asked Questions

What is the IUPAC name of 2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran?
The IUPAC name of 2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran (CID 58194595) is 2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran.
What is the SMILES notation for 2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran?
The canonical SMILES for 2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran is c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3ccc4ccc5ccccc5c4c3)c3ccccc23)c1.
What is the InChIKey of 2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran?
The InChIKey is FZSGBFFLABWCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O/c1-2-13-35-29(10-1)20-21-30-22-23-34(28-41(30)35)46-39-17-5-3-15-37(39)45(38-16-4-6-18-40(38)46)33-12-9-11-31(26-33)32-24-25-44-42(27-32)36-14-7-8-19-43(36)47-44/h1-28H.
What are the key properties of 2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran?
2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]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-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 58194595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).