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

C38H24N2O — CID 88905849

IUPAC3-[5-(5a,9a-dihydrodibenzofuran-2-yl)naphthalen-1-yl]phenanthro[9,10-b]pyrazine
SMILESC1=CC2Oc3ccc(-c4cccc5c(-c6cnc7c8ccccc8c8ccccc8c7n6)cccc45)cc3C2C=C1
InChIInChI=1S/C38H24N2O/c1-3-12-31-27(9-1)28-10-2-4-13-32(28)38-37(31)39-22-34(40-38)29-17-8-15-25-24(14-7-16-26(25)29)23-19-20-36-33(21-23)30-11-5-6-18-35(30)41-36/h1-22,30,35H
InChIKeyOASIPIVVPWHFIZ-UHFFFAOYSA-N
MW524.62 g/mol
LogP9.39
Rot. Bonds2

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

3-[5-(5a,9a-dihydrodibenzofuran-2-yl)naphthalen-1-yl]phenanthro[9,10-b]pyrazine (PubChem CID 88905849) has the molecular formula C38H24N2O and a molecular weight of 524.62 g/mol. Its IUPAC name is 3-[5-(5a,9a-dihydrodibenzofuran-2-yl)naphthalen-1-yl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[5-(5a,9a-dihydrodibenzofuran-2-yl)naphthalen-1-yl]phenanthro[9,10-b]pyrazine
PubChem CID88905849
Molecular FormulaC38H24N2O
Molecular Weight524.62 g/mol
Exact Mass524.19
IUPAC Name3-[5-(5a,9a-dihydrodibenzofuran-2-yl)naphthalen-1-yl]phenanthro[9,10-b]pyrazine
SMILESC1=CC2Oc3ccc(-c4cccc5c(-c6cnc7c8ccccc8c8ccccc8c7n6)cccc45)cc3C2C=C1
InChIInChI=1S/C38H24N2O/c1-3-12-31-27(9-1)28-10-2-4-13-32(28)38-37(31)39-22-34(40-38)29-17-8-15-25-24(14-7-16-26(25)29)23-19-20-36-33(21-23)30-11-5-6-18-35(30)41-36/h1-22,30,35H
InChIKeyOASIPIVVPWHFIZ-UHFFFAOYSA-N
XLogP9.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.62
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[5-(5a,9a-dihydrodibenzofuran-2-yl)naphthalen-1-yl]phenanthro[9,10-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran
CID 164841424
8-pyren-1-yl-4a,9b-dihydrodibenzofuran
CID 58556367
3-[5-[5-(5-dibenzofuran-2-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine
CID 129063512
3-[3-[3-[3-(4b,8a-dihydrophenanthro[9,10-b]pyrazin-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 123198771
3-(5-dibenzothiophen-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine
CID 58410390
1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 71134747
8-[10-[4-(3-phenylnaphthalen-1-yl)phenyl]anthracen-9-yl]-4a,9b-dihydrodibenzofuran
CID 164841482
2-[(9aS)-5a,9a-dihydrodibenzofuran-2-yl]-3-chloropyridine
CID 146294855
9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 166037349
N-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 129301089
9-(5a,9a-dihydrodibenzofuran-2-yl)-3-[9-(5a,9a-dihydrodibenzofuran-2-yl)carbazol-4-yl]carbazole
CID 163746165
9-[4-[9-(5a,9a-dihydrodibenzofuran-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 170113354

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5a,9a-dihydrodibenzofuran-2-yl)naphthalen-1-yl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[5-(5a,9a-dihydrodibenzofuran-2-yl)naphthalen-1-yl]phenanthro[9,10-b]pyrazine (CID 88905849) is 3-[5-(5a,9a-dihydrodibenzofuran-2-yl)naphthalen-1-yl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[5-(5a,9a-dihydrodibenzofuran-2-yl)naphthalen-1-yl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[5-(5a,9a-dihydrodibenzofuran-2-yl)naphthalen-1-yl]phenanthro[9,10-b]pyrazine is C1=CC2Oc3ccc(-c4cccc5c(-c6cnc7c8ccccc8c8ccccc8c7n6)cccc45)cc3C2C=C1.
What is the InChIKey of 3-[5-(5a,9a-dihydrodibenzofuran-2-yl)naphthalen-1-yl]phenanthro[9,10-b]pyrazine?
The InChIKey is OASIPIVVPWHFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2O/c1-3-12-31-27(9-1)28-10-2-4-13-32(28)38-37(31)39-22-34(40-38)29-17-8-15-25-24(14-7-16-26(25)29)23-19-20-36-33(21-23)30-11-5-6-18-35(30)41-36/h1-22,30,35H.
What are the key properties of 3-[5-(5a,9a-dihydrodibenzofuran-2-yl)naphthalen-1-yl]phenanthro[9,10-b]pyrazine?
3-[5-(5a,9a-dihydrodibenzofuran-2-yl)naphthalen-1-yl]phenanthro[9,10-b]pyrazine has a molecular weight of 524.62 g/mol, XLogP of 9.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5a,9a-dihydrodibenzofuran-2-yl)naphthalen-1-yl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 88905849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).