2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine

C50H34N4 — CID 139681938

IUPAC2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
SMILESc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)nc4-c4ccccc4)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C50H34N4/c1-7-19-35(20-8-1)43-45(37-23-11-3-12-24-37)53-49(47(51-43)39-27-15-5-16-28-39)41-31-33-42(34-32-41)50-48(40-29-17-6-18-30-40)52-44(36-21-9-2-10-22-36)46(54-50)38-25-13-4-14-26-38/h1-34H
InChIKeySDYMAZINKRCHGD-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.60
Rot. Bonds8

About 2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine

2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine (PubChem CID 139681938) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine.

Molecular Properties

Compound Name2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
PubChem CID139681938
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC Name2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
SMILESc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)nc4-c4ccccc4)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C50H34N4/c1-7-19-35(20-8-1)43-45(37-23-11-3-12-24-37)53-49(47(51-43)39-27-15-5-16-28-39)41-31-33-42(34-32-41)50-48(40-29-17-6-18-30-40)52-44(36-21-9-2-10-22-36)46(54-50)38-25-13-4-14-26-38/h1-34H
InChIKeySDYMAZINKRCHGD-UHFFFAOYSA-N
XLogP12.60
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethenylphenyl)-3,5,6-triphenylpyrazine
CID 58151664
2-[4-(4-ethenylphenyl)phenyl]-3,5,6-triphenylpyrazine
CID 58151656
2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine
CID 155576945
2,6-diphenyl-3,5-bis(4-phenylphenyl)pyridine
CID 122233247
3,5,6-triphenylpyrazine-2-carbonitrile
CID 134914114
2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine
CID 134914577
2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 58299261
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 156561648
2,3-diphenylpyrazino[2,3-b]pyrazine
CID 141468009
2,4-diphenyl-6-[4-[4-(3,5,6-triphenylpyrazin-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 156562540
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 167363756
3-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]phenyl]-5,6-diphenyl-1,2,4-triazine;methane
CID 158126148

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine?
The IUPAC name of 2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine (CID 139681938) is 2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine.
What is the SMILES notation for 2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine?
The canonical SMILES for 2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine is c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)nc4-c4ccccc4)cc3)nc2-c2ccccc2)cc1.
What is the InChIKey of 2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine?
The InChIKey is SDYMAZINKRCHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-7-19-35(20-8-1)43-45(37-23-11-3-12-24-37)53-49(47(51-43)39-27-15-5-16-28-39)41-31-33-42(34-32-41)50-48(40-29-17-6-18-30-40)52-44(36-21-9-2-10-22-36)46(54-50)38-25-13-4-14-26-38/h1-34H.
What are the key properties of 2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine?
2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine has a molecular weight of 690.85 g/mol, XLogP of 12.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine is sourced from PubChem (CID 139681938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).