3-(7-dibenzofuran-2-yl-9,9-diphenylfluoren-2-yl)phenanthro[9,10-b]pyrazine

C53H32N2O — CID 58410055

IUPAC3-(7-dibenzofuran-2-yl-9,9-diphenylfluoren-2-yl)phenanthro[9,10-b]pyrazine
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4ccc5oc6ccccc6c5c4)ccc3-c3ccc(-c4cnc5c6ccccc6c6ccccc6c5n4)cc32)cc1
InChIInChI=1S/C53H32N2O/c1-3-13-36(14-4-1)53(37-15-5-2-6-16-37)46-30-34(33-25-28-50-45(29-33)42-19-11-12-22-49(42)56-50)23-26-40(46)41-27-24-35(31-47(41)53)48-32-54-51-43-20-9-7-17-38(43)39-18-8-10-21-44(39)52(51)55-48/h1-32H
InChIKeyLZQVKXNISJRGNZ-UHFFFAOYSA-N
MW712.85 g/mol
LogP13.53
Rot. Bonds4

About 3-(7-dibenzofuran-2-yl-9,9-diphenylfluoren-2-yl)phenanthro[9,10-b]pyrazine

3-(7-dibenzofuran-2-yl-9,9-diphenylfluoren-2-yl)phenanthro[9,10-b]pyrazine (PubChem CID 58410055) has the molecular formula C53H32N2O and a molecular weight of 712.85 g/mol. Its IUPAC name is 3-(7-dibenzofuran-2-yl-9,9-diphenylfluoren-2-yl)phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-(7-dibenzofuran-2-yl-9,9-diphenylfluoren-2-yl)phenanthro[9,10-b]pyrazine
PubChem CID58410055
Molecular FormulaC53H32N2O
Molecular Weight712.85 g/mol
Exact Mass712.25
IUPAC Name3-(7-dibenzofuran-2-yl-9,9-diphenylfluoren-2-yl)phenanthro[9,10-b]pyrazine
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4ccc5oc6ccccc6c5c4)ccc3-c3ccc(-c4cnc5c6ccccc6c6ccccc6c5n4)cc32)cc1
InChIInChI=1S/C53H32N2O/c1-3-13-36(14-4-1)53(37-15-5-2-6-16-37)46-30-34(33-25-28-50-45(29-33)42-19-11-12-22-49(42)56-50)23-26-40(46)41-27-24-35(31-47(41)53)48-32-54-51-43-20-9-7-17-38(43)39-18-8-10-21-44(39)52(51)55-48/h1-32H
InChIKeyLZQVKXNISJRGNZ-UHFFFAOYSA-N
XLogP13.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.85
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(7-dibenzofuran-2-yl-9,9-diphenylfluoren-2-yl)phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-(7-dibenzofuran-2-yl-9,9-diphenylfluoren-2-yl)phenanthro[9,10-b]pyrazine (CID 58410055) is 3-(7-dibenzofuran-2-yl-9,9-diphenylfluoren-2-yl)phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-(7-dibenzofuran-2-yl-9,9-diphenylfluoren-2-yl)phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-(7-dibenzofuran-2-yl-9,9-diphenylfluoren-2-yl)phenanthro[9,10-b]pyrazine is c1ccc(C2(c3ccccc3)c3cc(-c4ccc5oc6ccccc6c5c4)ccc3-c3ccc(-c4cnc5c6ccccc6c6ccccc6c5n4)cc32)cc1.
What is the InChIKey of 3-(7-dibenzofuran-2-yl-9,9-diphenylfluoren-2-yl)phenanthro[9,10-b]pyrazine?
The InChIKey is LZQVKXNISJRGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O/c1-3-13-36(14-4-1)53(37-15-5-2-6-16-37)46-30-34(33-25-28-50-45(29-33)42-19-11-12-22-49(42)56-50)23-26-40(46)41-27-24-35(31-47(41)53)48-32-54-51-43-20-9-7-17-38(43)39-18-8-10-21-44(39)52(51)55-48/h1-32H.
What are the key properties of 3-(7-dibenzofuran-2-yl-9,9-diphenylfluoren-2-yl)phenanthro[9,10-b]pyrazine?
3-(7-dibenzofuran-2-yl-9,9-diphenylfluoren-2-yl)phenanthro[9,10-b]pyrazine has a molecular weight of 712.85 g/mol, XLogP of 13.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-dibenzofuran-2-yl-9,9-diphenylfluoren-2-yl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 58410055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).