2-[9-(3,5-dimethyl-6-phenylpyrazin-2-yl)-10,10-dimethylanthracen-9-yl]-3,5-dimethyl-6-phenylpyrazine

C40H36N4 — CID 140824122

IUPAC2-[9-(3,5-dimethyl-6-phenylpyrazin-2-yl)-10,10-dimethylanthracen-9-yl]-3,5-dimethyl-6-phenylpyrazine
SMILESCc1nc(C)c(C2(c3nc(-c4ccccc4)c(C)nc3C)c3ccccc3C(C)(C)c3ccccc32)nc1-c1ccccc1
InChIInChI=1S/C40H36N4/c1-25-35(29-17-9-7-10-18-29)43-37(27(3)41-25)40(38-28(4)42-26(2)36(44-38)30-19-11-8-12-20-30)33-23-15-13-21-31(33)39(5,6)32-22-14-16-24-34(32)40/h7-24H,1-6H3
InChIKeyVQUGPKBEGPWITM-UHFFFAOYSA-N
MW572.76 g/mol
LogP8.86
Rot. Bonds4

About 2-[9-(3,5-dimethyl-6-phenylpyrazin-2-yl)-10,10-dimethylanthracen-9-yl]-3,5-dimethyl-6-phenylpyrazine

2-[9-(3,5-dimethyl-6-phenylpyrazin-2-yl)-10,10-dimethylanthracen-9-yl]-3,5-dimethyl-6-phenylpyrazine (PubChem CID 140824122) has the molecular formula C40H36N4 and a molecular weight of 572.76 g/mol. Its IUPAC name is 2-[9-(3,5-dimethyl-6-phenylpyrazin-2-yl)-10,10-dimethylanthracen-9-yl]-3,5-dimethyl-6-phenylpyrazine.

Molecular Properties

Compound Name2-[9-(3,5-dimethyl-6-phenylpyrazin-2-yl)-10,10-dimethylanthracen-9-yl]-3,5-dimethyl-6-phenylpyrazine
PubChem CID140824122
Molecular FormulaC40H36N4
Molecular Weight572.76 g/mol
Exact Mass572.29
IUPAC Name2-[9-(3,5-dimethyl-6-phenylpyrazin-2-yl)-10,10-dimethylanthracen-9-yl]-3,5-dimethyl-6-phenylpyrazine
SMILESCc1nc(C)c(C2(c3nc(-c4ccccc4)c(C)nc3C)c3ccccc3C(C)(C)c3ccccc32)nc1-c1ccccc1
InChIInChI=1S/C40H36N4/c1-25-35(29-17-9-7-10-18-29)43-37(27(3)41-25)40(38-28(4)42-26(2)36(44-38)30-19-11-8-12-20-30)33-23-15-13-21-31(33)39(5,6)32-22-14-16-24-34(32)40/h7-24H,1-6H3
InChIKeyVQUGPKBEGPWITM-UHFFFAOYSA-N
XLogP8.86
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.76
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[9-(3,5-dimethyl-6-phenylpyrazin-2-yl)-10,10-dimethylanthracen-9-yl]-3,5-dimethyl-6-phenylpyrazine with MolForge

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Related Compounds

2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-10,10-dimethylanthracen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
CID 88886340
2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline
CID 166996088
5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-2-(4-phenylphenyl)pyrimidine
CID 167177003
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 153302504
9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
CID 129037640
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146494836
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146495829
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142504402
2-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 153302542
2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine
CID 153302578
2-[3-[9-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[9-[3,5-bis(4-phenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-yl]-5-(4-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1,3,5-triazine;2-[3-[9-[3,5-bis(1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-yl]-5-(1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine
CID 160850725
2-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-[9-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-[4-(2,5-diphenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylanthracen-9-yl]phenyl]-4-(2,5-diphenylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 138474363

Frequently Asked Questions

What is the IUPAC name of 2-[9-(3,5-dimethyl-6-phenylpyrazin-2-yl)-10,10-dimethylanthracen-9-yl]-3,5-dimethyl-6-phenylpyrazine?
The IUPAC name of 2-[9-(3,5-dimethyl-6-phenylpyrazin-2-yl)-10,10-dimethylanthracen-9-yl]-3,5-dimethyl-6-phenylpyrazine (CID 140824122) is 2-[9-(3,5-dimethyl-6-phenylpyrazin-2-yl)-10,10-dimethylanthracen-9-yl]-3,5-dimethyl-6-phenylpyrazine.
What is the SMILES notation for 2-[9-(3,5-dimethyl-6-phenylpyrazin-2-yl)-10,10-dimethylanthracen-9-yl]-3,5-dimethyl-6-phenylpyrazine?
The canonical SMILES for 2-[9-(3,5-dimethyl-6-phenylpyrazin-2-yl)-10,10-dimethylanthracen-9-yl]-3,5-dimethyl-6-phenylpyrazine is Cc1nc(C)c(C2(c3nc(-c4ccccc4)c(C)nc3C)c3ccccc3C(C)(C)c3ccccc32)nc1-c1ccccc1.
What is the InChIKey of 2-[9-(3,5-dimethyl-6-phenylpyrazin-2-yl)-10,10-dimethylanthracen-9-yl]-3,5-dimethyl-6-phenylpyrazine?
The InChIKey is VQUGPKBEGPWITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N4/c1-25-35(29-17-9-7-10-18-29)43-37(27(3)41-25)40(38-28(4)42-26(2)36(44-38)30-19-11-8-12-20-30)33-23-15-13-21-31(33)39(5,6)32-22-14-16-24-34(32)40/h7-24H,1-6H3.
What are the key properties of 2-[9-(3,5-dimethyl-6-phenylpyrazin-2-yl)-10,10-dimethylanthracen-9-yl]-3,5-dimethyl-6-phenylpyrazine?
2-[9-(3,5-dimethyl-6-phenylpyrazin-2-yl)-10,10-dimethylanthracen-9-yl]-3,5-dimethyl-6-phenylpyrazine has a molecular weight of 572.76 g/mol, XLogP of 8.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(3,5-dimethyl-6-phenylpyrazin-2-yl)-10,10-dimethylanthracen-9-yl]-3,5-dimethyl-6-phenylpyrazine is sourced from PubChem (CID 140824122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).