3-(4-phenanthren-9-ylphenyl)phenanthro[9,10-b]pyrazine

C36H22N2 — CID 86679313

IUPAC3-(4-phenanthren-9-ylphenyl)phenanthro[9,10-b]pyrazine
SMILESc1ccc2c(c1)cc(-c1ccc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc1)c1ccccc12
InChIInChI=1S/C36H22N2/c1-2-10-26-25(9-1)21-33(30-14-4-3-11-27(26)30)23-17-19-24(20-18-23)34-22-37-35-31-15-7-5-12-28(31)29-13-6-8-16-32(29)36(35)38-34/h1-22H
InChIKeyQIAKCNSNQCOJON-UHFFFAOYSA-N
MW482.59 g/mol
LogP9.58
Rot. Bonds2

About 3-(4-phenanthren-9-ylphenyl)phenanthro[9,10-b]pyrazine

3-(4-phenanthren-9-ylphenyl)phenanthro[9,10-b]pyrazine (PubChem CID 86679313) has the molecular formula C36H22N2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 3-(4-phenanthren-9-ylphenyl)phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-(4-phenanthren-9-ylphenyl)phenanthro[9,10-b]pyrazine
PubChem CID86679313
Molecular FormulaC36H22N2
Molecular Weight482.59 g/mol
Exact Mass482.18
IUPAC Name3-(4-phenanthren-9-ylphenyl)phenanthro[9,10-b]pyrazine
SMILESc1ccc2c(c1)cc(-c1ccc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc1)c1ccccc12
InChIInChI=1S/C36H22N2/c1-2-10-26-25(9-1)21-33(30-14-4-3-11-27(26)30)23-17-19-24(20-18-23)34-22-37-35-31-15-7-5-12-28(31)29-13-6-8-16-32(29)36(35)38-34/h1-22H
InChIKeyQIAKCNSNQCOJON-UHFFFAOYSA-N
XLogP9.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-phenanthren-9-ylphenyl)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

3-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-5-phenanthren-9-ylphenyl]phenanthro[9,10-b]pyrazine
CID 176622556
3-[3-phenanthren-9-yl-5-[6-phenyl-4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenanthro[9,10-b]pyrazine
CID 176622478
3-phenanthren-9-yl-1-pyridin-4-ylbenzo[c][1,10]phenanthroline
CID 58637294
3-(4-methoxyphenyl)phenanthro[9,10-b]pyrazine
CID 58019529
3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-pyridinyl]-5-phenanthren-9-ylphenyl]phenanthro[9,10-b]pyrazine
CID 176622537
3-[3-phenanthren-9-yl-5-[4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidin-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 176622437
4-phenanthro[9,10-b]pyrazin-3-yl-N,N-diphenylaniline
CID 58224554
3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]phenanthro[9,10-b]pyrazine
CID 176622546
3-[3-phenanthren-9-yl-5-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 176622471
4-phenyl-11-tetraphenylen-2-yl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 139484185
3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;2-phenyl-3-[4-[4-(2-phenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 159278418
3-[3-phenanthren-9-yl-5-[6-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)-2-pyridinyl]phenyl]phenanthro[9,10-b]pyrazine
CID 176622446

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenanthren-9-ylphenyl)phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-(4-phenanthren-9-ylphenyl)phenanthro[9,10-b]pyrazine (CID 86679313) is 3-(4-phenanthren-9-ylphenyl)phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-(4-phenanthren-9-ylphenyl)phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-(4-phenanthren-9-ylphenyl)phenanthro[9,10-b]pyrazine is c1ccc2c(c1)cc(-c1ccc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc1)c1ccccc12.
What is the InChIKey of 3-(4-phenanthren-9-ylphenyl)phenanthro[9,10-b]pyrazine?
The InChIKey is QIAKCNSNQCOJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2/c1-2-10-26-25(9-1)21-33(30-14-4-3-11-27(26)30)23-17-19-24(20-18-23)34-22-37-35-31-15-7-5-12-28(31)29-13-6-8-16-32(29)36(35)38-34/h1-22H.
What are the key properties of 3-(4-phenanthren-9-ylphenyl)phenanthro[9,10-b]pyrazine?
3-(4-phenanthren-9-ylphenyl)phenanthro[9,10-b]pyrazine has a molecular weight of 482.59 g/mol, XLogP of 9.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenanthren-9-ylphenyl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 86679313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).