2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-1-yldibenzofuran

C50H30O — CID 58194464

IUPAC2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-1-yldibenzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5oc6ccc(-c7cccc8c7ccc7ccccc78)cc6c5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C50H30O/c1-2-12-33-28-35(21-20-31(33)10-1)49-41-14-5-7-16-43(41)50(44-17-8-6-15-42(44)49)36-24-27-48-46(30-36)45-29-34(23-26-47(45)51-48)38-18-9-19-39-37-13-4-3-11-32(37)22-25-40(38)39/h1-30H
InChIKeyZARHZPTXVPNTMN-UHFFFAOYSA-N
MW646.79 g/mol
LogP14.35
Rot. Bonds3

About 2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-1-yldibenzofuran

2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-1-yldibenzofuran (PubChem CID 58194464) has the molecular formula C50H30O and a molecular weight of 646.79 g/mol. Its IUPAC name is 2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-1-yldibenzofuran.

Molecular Properties

Compound Name2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-1-yldibenzofuran
PubChem CID58194464
Molecular FormulaC50H30O
Molecular Weight646.79 g/mol
Exact Mass646.23
IUPAC Name2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-1-yldibenzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5oc6ccc(-c7cccc8c7ccc7ccccc78)cc6c5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C50H30O/c1-2-12-33-28-35(21-20-31(33)10-1)49-41-14-5-7-16-43(41)50(44-17-8-6-15-42(44)49)36-24-27-48-46(30-36)45-29-34(23-26-47(45)51-48)38-18-9-19-39-37-13-4-3-11-32(37)22-25-40(38)39/h1-30H
InChIKeyZARHZPTXVPNTMN-UHFFFAOYSA-N
XLogP14.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.79
LogP ≤ 514.35
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-[4-(3-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58323246
2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran
CID 58194354
2-(10-phenanthren-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 90433755
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-[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-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran
CID 58323672
2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran
CID 174296945
2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 163725352
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167561515
2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58322991
2-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 90433498
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene
CID 143986124

Frequently Asked Questions

What is the IUPAC name of 2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-1-yldibenzofuran?
The IUPAC name of 2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-1-yldibenzofuran (CID 58194464) is 2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-1-yldibenzofuran.
What is the SMILES notation for 2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-1-yldibenzofuran?
The canonical SMILES for 2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-1-yldibenzofuran is c1ccc2cc(-c3c4ccccc4c(-c4ccc5oc6ccc(-c7cccc8c7ccc7ccccc78)cc6c5c4)c4ccccc34)ccc2c1.
What is the InChIKey of 2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-1-yldibenzofuran?
The InChIKey is ZARHZPTXVPNTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O/c1-2-12-33-28-35(21-20-31(33)10-1)49-41-14-5-7-16-43(41)50(44-17-8-6-15-42(44)49)36-24-27-48-46(30-36)45-29-34(23-26-47(45)51-48)38-18-9-19-39-37-13-4-3-11-32(37)22-25-40(38)39/h1-30H.
What are the key properties of 2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-1-yldibenzofuran?
2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-1-yldibenzofuran has a molecular weight of 646.79 g/mol, XLogP of 14.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-1-yldibenzofuran is sourced from PubChem (CID 58194464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).