10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine

C40H25N3O — CID 118912208

IUPAC10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3cc(N5c6ccccc6Oc6ccccc65)ccc3c3nccnc43)c2)cc1
InChIInChI=1S/C40H25N3O/c1-2-9-26(10-3-1)27-11-8-12-28(23-27)29-17-19-31-33(24-29)34-25-30(18-20-32(34)40-39(31)41-21-22-42-40)43-35-13-4-6-15-37(35)44-38-16-7-5-14-36(38)43/h1-25H
InChIKeyOOKXGLDSQCYDHU-UHFFFAOYSA-N
MW563.66 g/mol
LogP10.85
Rot. Bonds3

About 10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine

10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine (PubChem CID 118912208) has the molecular formula C40H25N3O and a molecular weight of 563.66 g/mol. Its IUPAC name is 10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine.

Molecular Properties

Compound Name10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine
PubChem CID118912208
Molecular FormulaC40H25N3O
Molecular Weight563.66 g/mol
Exact Mass563.20
IUPAC Name10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3cc(N5c6ccccc6Oc6ccccc65)ccc3c3nccnc43)c2)cc1
InChIInChI=1S/C40H25N3O/c1-2-9-26(10-3-1)27-11-8-12-28(23-27)29-17-19-31-33(24-29)34-25-30(18-20-32(34)40-39(31)41-21-22-42-40)43-35-13-4-6-15-37(35)44-38-16-7-5-14-36(38)43/h1-25H
InChIKeyOOKXGLDSQCYDHU-UHFFFAOYSA-N
XLogP10.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.66
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine
CID 129073049
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine
CID 59220139
10-[9-(3-naphthalen-2-ylphenyl)-6-phenoxazin-10-yl-10-phenylanthracen-2-yl]phenoxazine
CID 59219559
7,10-diphenylphenanthro[9,10-b]pyrazine;ethane
CID 143925438
10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine
CID 134351385
N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122425440
N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline
CID 122425451
3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine
CID 118912242
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
6-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063833

Frequently Asked Questions

What is the IUPAC name of 10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine?
The IUPAC name of 10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine (CID 118912208) is 10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine.
What is the SMILES notation for 10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine?
The canonical SMILES for 10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine is c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(N5c6ccccc6Oc6ccccc65)ccc3c3nccnc43)c2)cc1.
What is the InChIKey of 10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine?
The InChIKey is OOKXGLDSQCYDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3O/c1-2-9-26(10-3-1)27-11-8-12-28(23-27)29-17-19-31-33(24-29)34-25-30(18-20-32(34)40-39(31)41-21-22-42-40)43-35-13-4-6-15-37(35)44-38-16-7-5-14-36(38)43/h1-25H.
What are the key properties of 10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine?
10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine has a molecular weight of 563.66 g/mol, XLogP of 10.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine is sourced from PubChem (CID 118912208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).