2-[4-[10-(5,6-diphenylpyrazin-2-yl)anthracen-9-yl]phenyl]-3-phenylquinoxaline;2-phenyl-3-[4-[10-(5-phenylpyrazin-2-yl)anthracen-9-yl]phenyl]quinoxaline;2-phenyl-3-[4-[10-(3-phenyl-1,2,4-triazin-6-yl)anthracen-9-yl]phenyl]quinoxaline

C137H87N13 — CID 164968243

IUPAC2-[4-[10-(5,6-diphenylpyrazin-2-yl)anthracen-9-yl]phenyl]-3-phenylquinoxaline;2-phenyl-3-[4-[10-(5-phenylpyrazin-2-yl)anthracen-9-yl]phenyl]quinoxaline;2-phenyl-3-[4-[10-(3-phenyl-1,2,4-triazin-6-yl)anthracen-9-yl]phenyl]quinoxaline
SMILESc1ccc(-c2cnc(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6nc5-c5ccccc5)cc4)c4ccccc34)cn2)cc1.c1ccc(-c2ncc(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6nc5-c5ccccc5)cc4)c4ccccc34)nc2-c2ccccc2)cc1.c1ccc(-c2ncc(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6nc5-c5ccccc5)cc4)c4ccccc34)nn2)cc1
InChIInChI=1S/C50H32N4.C44H28N4.C43H27N5/c1-4-16-34(17-5-1)47-48(35-18-6-2-7-19-35)54-44(32-51-47)46-40-24-12-10-22-38(40)45(39-23-11-13-25-41(39)46)33-28-30-37(31-29-33)50-49(36-20-8-3-9-21-36)52-42-26-14-15-27-43(42)53-50;1-3-13-29(14-4-1)39-27-46-40(28-45-39)42-35-19-9-7-17-33(35)41(34-18-8-10-20-36(34)42)30-23-25-32(26-24-30)44-43(31-15-5-2-6-16-31)47-37-21-11-12-22-38(37)48-44;1-3-13-29(14-4-1)41-42(46-37-22-12-11-21-36(37)45-41)30-25-23-28(24-26-30)39-32-17-7-9-19-34(32)40(35-20-10-8-18-33(35)39)38-27-44-43(48-47-38)31-15-5-2-6-16-31/h1-32H;1-28H;1-27H
InChIKeyCTNTTYXEQZRLCP-UHFFFAOYSA-N
MW1915.29 g/mol
LogP34.25
Rot. Bonds16

About 2-[4-[10-(5,6-diphenylpyrazin-2-yl)anthracen-9-yl]phenyl]-3-phenylquinoxaline;2-phenyl-3-[4-[10-(5-phenylpyrazin-2-yl)anthracen-9-yl]phenyl]quinoxaline;2-phenyl-3-[4-[10-(3-phenyl-1,2,4-triazin-6-yl)anthracen-9-yl]phenyl]quinoxaline

2-[4-[10-(5,6-diphenylpyrazin-2-yl)anthracen-9-yl]phenyl]-3-phenylquinoxaline;2-phenyl-3-[4-[10-(5-phenylpyrazin-2-yl)anthracen-9-yl]phenyl]quinoxaline;2-phenyl-3-[4-[10-(3-phenyl-1,2,4-triazin-6-yl)anthracen-9-yl]phenyl]quinoxaline (PubChem CID 164968243) has the molecular formula C137H87N13 and a molecular weight of 1915.29 g/mol. Its IUPAC name is 2-[4-[10-(5,6-diphenylpyrazin-2-yl)anthracen-9-yl]phenyl]-3-phenylquinoxaline;2-phenyl-3-[4-[10-(5-phenylpyrazin-2-yl)anthracen-9-yl]phenyl]quinoxaline;2-phenyl-3-[4-[10-(3-phenyl-1,2,4-triazin-6-yl)anthracen-9-yl]phenyl]quinoxaline.

Molecular Properties

Compound Name2-[4-[10-(5,6-diphenylpyrazin-2-yl)anthracen-9-yl]phenyl]-3-phenylquinoxaline;2-phenyl-3-[4-[10-(5-phenylpyrazin-2-yl)anthracen-9-yl]phenyl]quinoxaline;2-phenyl-3-[4-[10-(3-phenyl-1,2,4-triazin-6-yl)anthracen-9-yl]phenyl]quinoxaline
PubChem CID164968243
Molecular FormulaC137H87N13
Molecular Weight1915.29 g/mol
Exact Mass1913.72
IUPAC Name2-[4-[10-(5,6-diphenylpyrazin-2-yl)anthracen-9-yl]phenyl]-3-phenylquinoxaline;2-phenyl-3-[4-[10-(5-phenylpyrazin-2-yl)anthracen-9-yl]phenyl]quinoxaline;2-phenyl-3-[4-[10-(3-phenyl-1,2,4-triazin-6-yl)anthracen-9-yl]phenyl]quinoxaline
SMILESc1ccc(-c2cnc(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6nc5-c5ccccc5)cc4)c4ccccc34)cn2)cc1.c1ccc(-c2ncc(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6nc5-c5ccccc5)cc4)c4ccccc34)nc2-c2ccccc2)cc1.c1ccc(-c2ncc(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6nc5-c5ccccc5)cc4)c4ccccc34)nn2)cc1
InChIInChI=1S/C50H32N4.C44H28N4.C43H27N5/c1-4-16-34(17-5-1)47-48(35-18-6-2-7-19-35)54-44(32-51-47)46-40-24-12-10-22-38(40)45(39-23-11-13-25-41(39)46)33-28-30-37(31-29-33)50-49(36-20-8-3-9-21-36)52-42-26-14-15-27-43(42)53-50;1-3-13-29(14-4-1)39-27-46-40(28-45-39)42-35-19-9-7-17-33(35)41(34-18-8-10-20-36(34)42)30-23-25-32(26-24-30)44-43(31-15-5-2-6-16-31)47-37-21-11-12-22-38(37)48-44;1-3-13-29(14-4-1)41-42(46-37-22-12-11-21-36(37)45-41)30-25-23-28(24-26-30)39-32-17-7-9-19-34(32)40(35-20-10-8-18-33(35)39)38-27-44-43(48-47-38)31-15-5-2-6-16-31/h1-32H;1-28H;1-27H
InChIKeyCTNTTYXEQZRLCP-UHFFFAOYSA-N
XLogP34.25
TPSA167.57 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001915.29
LogP ≤ 534.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[4-[10-(5,6-diphenylpyrazin-2-yl)anthracen-9-yl]phenyl]-3-phenylquinoxaline;2-phenyl-3-[4-[10-(5-phenylpyrazin-2-yl)anthracen-9-yl]phenyl]quinoxaline;2-phenyl-3-[4-[10-(3-phenyl-1,2,4-triazin-6-yl)anthracen-9-yl]phenyl]quinoxaline with MolForge

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Related Compounds

2,3-diphenyl-5-(4-phenylphenyl)pyrazine
CID 58991364
2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline
CID 129060956
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 156561648
2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine
CID 59806456
2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline
CID 164980722
3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxalin-2-yl]-[1]benzothiolo[3,2-c]pyridine
CID 168745712
2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline
CID 89281033
3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine
CID 155792785
2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline
CID 164771483
4-[4-(10-phenylanthracen-9-yl)phenyl]-1-quinolin-3-ylisoquinoline
CID 118564017
6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenanthridine
CID 176818956
5-[4-[4-(6-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)naphthalen-1-yl]phenyl]-2,3-diphenylpyrazine
CID 167410449

Frequently Asked Questions

What is the IUPAC name of 2-[4-[10-(5,6-diphenylpyrazin-2-yl)anthracen-9-yl]phenyl]-3-phenylquinoxaline;2-phenyl-3-[4-[10-(5-phenylpyrazin-2-yl)anthracen-9-yl]phenyl]quinoxaline;2-phenyl-3-[4-[10-(3-phenyl-1,2,4-triazin-6-yl)anthracen-9-yl]phenyl]quinoxaline?
The IUPAC name of 2-[4-[10-(5,6-diphenylpyrazin-2-yl)anthracen-9-yl]phenyl]-3-phenylquinoxaline;2-phenyl-3-[4-[10-(5-phenylpyrazin-2-yl)anthracen-9-yl]phenyl]quinoxaline;2-phenyl-3-[4-[10-(3-phenyl-1,2,4-triazin-6-yl)anthracen-9-yl]phenyl]quinoxaline (CID 164968243) is 2-[4-[10-(5,6-diphenylpyrazin-2-yl)anthracen-9-yl]phenyl]-3-phenylquinoxaline;2-phenyl-3-[4-[10-(5-phenylpyrazin-2-yl)anthracen-9-yl]phenyl]quinoxaline;2-phenyl-3-[4-[10-(3-phenyl-1,2,4-triazin-6-yl)anthracen-9-yl]phenyl]quinoxaline.
What is the SMILES notation for 2-[4-[10-(5,6-diphenylpyrazin-2-yl)anthracen-9-yl]phenyl]-3-phenylquinoxaline;2-phenyl-3-[4-[10-(5-phenylpyrazin-2-yl)anthracen-9-yl]phenyl]quinoxaline;2-phenyl-3-[4-[10-(3-phenyl-1,2,4-triazin-6-yl)anthracen-9-yl]phenyl]quinoxaline?
The canonical SMILES for 2-[4-[10-(5,6-diphenylpyrazin-2-yl)anthracen-9-yl]phenyl]-3-phenylquinoxaline;2-phenyl-3-[4-[10-(5-phenylpyrazin-2-yl)anthracen-9-yl]phenyl]quinoxaline;2-phenyl-3-[4-[10-(3-phenyl-1,2,4-triazin-6-yl)anthracen-9-yl]phenyl]quinoxaline is c1ccc(-c2cnc(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6nc5-c5ccccc5)cc4)c4ccccc34)cn2)cc1.c1ccc(-c2ncc(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6nc5-c5ccccc5)cc4)c4ccccc34)nc2-c2ccccc2)cc1.c1ccc(-c2ncc(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6nc5-c5ccccc5)cc4)c4ccccc34)nn2)cc1.
What is the InChIKey of 2-[4-[10-(5,6-diphenylpyrazin-2-yl)anthracen-9-yl]phenyl]-3-phenylquinoxaline;2-phenyl-3-[4-[10-(5-phenylpyrazin-2-yl)anthracen-9-yl]phenyl]quinoxaline;2-phenyl-3-[4-[10-(3-phenyl-1,2,4-triazin-6-yl)anthracen-9-yl]phenyl]quinoxaline?
The InChIKey is CTNTTYXEQZRLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4.C44H28N4.C43H27N5/c1-4-16-34(17-5-1)47-48(35-18-6-2-7-19-35)54-44(32-51-47)46-40-24-12-10-22-38(40)45(39-23-11-13-25-41(39)46)33-28-30-37(31-29-33)50-49(36-20-8-3-9-21-36)52-42-26-14-15-27-43(42)53-50;1-3-13-29(14-4-1)39-27-46-40(28-45-39)42-35-19-9-7-17-33(35)41(34-18-8-10-20-36(34)42)30-23-25-32(26-24-30)44-43(31-15-5-2-6-16-31)47-37-21-11-12-22-38(37)48-44;1-3-13-29(14-4-1)41-42(46-37-22-12-11-21-36(37)45-41)30-25-23-28(24-26-30)39-32-17-7-9-19-34(32)40(35-20-10-8-18-33(35)39)38-27-44-43(48-47-38)31-15-5-2-6-16-31/h1-32H;1-28H;1-27H.
What are the key properties of 2-[4-[10-(5,6-diphenylpyrazin-2-yl)anthracen-9-yl]phenyl]-3-phenylquinoxaline;2-phenyl-3-[4-[10-(5-phenylpyrazin-2-yl)anthracen-9-yl]phenyl]quinoxaline;2-phenyl-3-[4-[10-(3-phenyl-1,2,4-triazin-6-yl)anthracen-9-yl]phenyl]quinoxaline?
2-[4-[10-(5,6-diphenylpyrazin-2-yl)anthracen-9-yl]phenyl]-3-phenylquinoxaline;2-phenyl-3-[4-[10-(5-phenylpyrazin-2-yl)anthracen-9-yl]phenyl]quinoxaline;2-phenyl-3-[4-[10-(3-phenyl-1,2,4-triazin-6-yl)anthracen-9-yl]phenyl]quinoxaline has a molecular weight of 1915.29 g/mol, XLogP of 34.25, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[10-(5,6-diphenylpyrazin-2-yl)anthracen-9-yl]phenyl]-3-phenylquinoxaline;2-phenyl-3-[4-[10-(5-phenylpyrazin-2-yl)anthracen-9-yl]phenyl]quinoxaline;2-phenyl-3-[4-[10-(3-phenyl-1,2,4-triazin-6-yl)anthracen-9-yl]phenyl]quinoxaline is sourced from PubChem (CID 164968243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).