2-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran

C46H28O — CID 58569083

IUPAC2-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran
SMILESc1ccc2c(c1)cc(-c1ccc3cc(-c4ccc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c4)ccc3c1)c1ccccc12
InChIInChI=1S/C46H28O/c1-2-8-39-37(7-1)28-43(41-10-4-3-9-40(39)41)38-20-19-33-24-31(16-18-35(33)26-38)29-13-14-32-25-34(17-15-30(32)23-29)36-21-22-46-44(27-36)42-11-5-6-12-45(42)47-46/h1-28H
InChIKeyQIAGUAHLYKNZTJ-UHFFFAOYSA-N
MW596.73 g/mol
LogP13.20
Rot. Bonds3

About 2-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran

2-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran (PubChem CID 58569083) has the molecular formula C46H28O and a molecular weight of 596.73 g/mol. Its IUPAC name is 2-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran.

Molecular Properties

Compound Name2-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran
PubChem CID58569083
Molecular FormulaC46H28O
Molecular Weight596.73 g/mol
Exact Mass596.21
IUPAC Name2-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran
SMILESc1ccc2c(c1)cc(-c1ccc3cc(-c4ccc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c4)ccc3c1)c1ccccc12
InChIInChI=1S/C46H28O/c1-2-8-39-37(7-1)28-43(41-10-4-3-9-40(39)41)38-20-19-33-24-31(16-18-35(33)26-38)29-13-14-32-25-34(17-15-30(32)23-29)36-21-22-46-44(27-36)42-11-5-6-12-45(42)47-46/h1-28H
InChIKeyQIAGUAHLYKNZTJ-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_3', 'substructure': 'N/A'}

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Related Compounds

2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran
CID 58569217
2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-8-phenanthren-9-yldibenzofuran
CID 58569484
3-phenanthren-9-yl-7-(7-phenanthren-9-ylnaphthalen-2-yl)dibenzofuran
CID 58569881
2,8-di(chrysen-6-yl)dibenzofuran
CID 87692920
8-naphthalen-2-yl-2-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-ol
CID 143904550
2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(3-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran
CID 162138593
2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran
CID 58194354
2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran
CID 174296945
2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 162491053
2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran
CID 59282074
2-[2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536112
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran?
The IUPAC name of 2-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran (CID 58569083) is 2-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran.
What is the SMILES notation for 2-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran?
The canonical SMILES for 2-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran is c1ccc2c(c1)cc(-c1ccc3cc(-c4ccc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c4)ccc3c1)c1ccccc12.
What is the InChIKey of 2-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran?
The InChIKey is QIAGUAHLYKNZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O/c1-2-8-39-37(7-1)28-43(41-10-4-3-9-40(39)41)38-20-19-33-24-31(16-18-35(33)26-38)29-13-14-32-25-34(17-15-30(32)23-29)36-21-22-46-44(27-36)42-11-5-6-12-45(42)47-46/h1-28H.
What are the key properties of 2-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran?
2-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-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-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran is sourced from PubChem (CID 58569083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).