6-[3-[5-[3-(2,3-dihydrodibenzofuran-4-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine

C50H32N2O — CID 129075813

IUPAC6-[3-[5-[3-(2,3-dihydrodibenzofuran-4-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESC1=c2c(oc3ccccc23)=C(c2cccc(-c3cccc4c(-c5cccc(-c6ccc7c8ccccc8c8nccnc8c7c6)c5)cccc34)c2)CC1
InChIInChI=1S/C50H32N2O/c1-2-16-44-41(14-1)42-25-24-32(30-46(42)49-48(44)51-26-27-52-49)31-10-5-11-33(28-31)36-17-7-21-40-37(18-8-20-39(36)40)34-12-6-13-35(29-34)38-19-9-22-45-43-15-3-4-23-47(43)53-50(38)45/h1-8,10-18,20-30H,9,19H2
InChIKeyRMEFJRWRHQAHMR-UHFFFAOYSA-N
MW676.82 g/mol
LogP11.61
Rot. Bonds4

About 6-[3-[5-[3-(2,3-dihydrodibenzofuran-4-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine

6-[3-[5-[3-(2,3-dihydrodibenzofuran-4-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 129075813) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is 6-[3-[5-[3-(2,3-dihydrodibenzofuran-4-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name6-[3-[5-[3-(2,3-dihydrodibenzofuran-4-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
PubChem CID129075813
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC Name6-[3-[5-[3-(2,3-dihydrodibenzofuran-4-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESC1=c2c(oc3ccccc23)=C(c2cccc(-c3cccc4c(-c5cccc(-c6ccc7c8ccccc8c8nccnc8c7c6)c5)cccc34)c2)CC1
InChIInChI=1S/C50H32N2O/c1-2-16-44-41(14-1)42-25-24-32(30-46(42)49-48(44)51-26-27-52-49)31-10-5-11-33(28-31)36-17-7-21-40-37(18-8-20-39(36)40)34-12-6-13-35(29-34)38-19-9-22-45-43-15-3-4-23-47(43)53-50(38)45/h1-8,10-18,20-30H,9,19H2
InChIKeyRMEFJRWRHQAHMR-UHFFFAOYSA-N
XLogP11.61
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 511.61
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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Related Compounds

4-[3-(9,10-dihydrotriphenylen-2-yl)phenyl]-2,3-dihydrodibenzofuran
CID 163514746
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858424
6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063531
4-[10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]-2,3-dihydrodibenzofuran
CID 135208765
10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063662
10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858651
7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 168745164
10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine
CID 88858623
10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858645
4-(2,3-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 166876385
10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 88858439
6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89417071

Frequently Asked Questions

What is the IUPAC name of 6-[3-[5-[3-(2,3-dihydrodibenzofuran-4-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 6-[3-[5-[3-(2,3-dihydrodibenzofuran-4-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine (CID 129075813) is 6-[3-[5-[3-(2,3-dihydrodibenzofuran-4-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 6-[3-[5-[3-(2,3-dihydrodibenzofuran-4-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 6-[3-[5-[3-(2,3-dihydrodibenzofuran-4-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine is C1=c2c(oc3ccccc23)=C(c2cccc(-c3cccc4c(-c5cccc(-c6ccc7c8ccccc8c8nccnc8c7c6)c5)cccc34)c2)CC1.
What is the InChIKey of 6-[3-[5-[3-(2,3-dihydrodibenzofuran-4-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is RMEFJRWRHQAHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-2-16-44-41(14-1)42-25-24-32(30-46(42)49-48(44)51-26-27-52-49)31-10-5-11-33(28-31)36-17-7-21-40-37(18-8-20-39(36)40)34-12-6-13-35(29-34)38-19-9-22-45-43-15-3-4-23-47(43)53-50(38)45/h1-8,10-18,20-30H,9,19H2.
What are the key properties of 6-[3-[5-[3-(2,3-dihydrodibenzofuran-4-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine?
6-[3-[5-[3-(2,3-dihydrodibenzofuran-4-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 676.82 g/mol, XLogP of 11.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[5-[3-(2,3-dihydrodibenzofuran-4-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 129075813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).