8-naphthalen-1-yl-2-[4-[4-(8-naphthalen-1-yl-3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]-3-phenylpyrido[3,4-b]pyrazine

C58H36N6 — CID 139835708

IUPAC8-naphthalen-1-yl-2-[4-[4-(8-naphthalen-1-yl-3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]-3-phenylpyrido[3,4-b]pyrazine
SMILESc1ccc(-c2nc3cncc(-c4cccc5ccccc45)c3nc2-c2ccc(-c3ccc(-c4nc5c(-c6cccc7ccccc67)cncc5nc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C58H36N6/c1-3-15-41(16-4-1)53-55(63-57-49(33-59-35-51(57)61-53)47-23-11-19-39-13-7-9-21-45(39)47)43-29-25-37(26-30-43)38-27-31-44(32-28-38)56-54(42-17-5-2-6-18-42)62-52-36-60-34-50(58(52)64-56)48-24-12-20-40-14-8-10-22-46(40)48/h1-36H
InChIKeyFCURGZCFQUFNGV-UHFFFAOYSA-N
MW816.97 g/mol
LogP14.34
Rot. Bonds7

About 8-naphthalen-1-yl-2-[4-[4-(8-naphthalen-1-yl-3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]-3-phenylpyrido[3,4-b]pyrazine

8-naphthalen-1-yl-2-[4-[4-(8-naphthalen-1-yl-3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]-3-phenylpyrido[3,4-b]pyrazine (PubChem CID 139835708) has the molecular formula C58H36N6 and a molecular weight of 816.97 g/mol. Its IUPAC name is 8-naphthalen-1-yl-2-[4-[4-(8-naphthalen-1-yl-3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]-3-phenylpyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name8-naphthalen-1-yl-2-[4-[4-(8-naphthalen-1-yl-3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]-3-phenylpyrido[3,4-b]pyrazine
PubChem CID139835708
Molecular FormulaC58H36N6
Molecular Weight816.97 g/mol
Exact Mass816.30
IUPAC Name8-naphthalen-1-yl-2-[4-[4-(8-naphthalen-1-yl-3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]-3-phenylpyrido[3,4-b]pyrazine
SMILESc1ccc(-c2nc3cncc(-c4cccc5ccccc45)c3nc2-c2ccc(-c3ccc(-c4nc5c(-c6cccc7ccccc67)cncc5nc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C58H36N6/c1-3-15-41(16-4-1)53-55(63-57-49(33-59-35-51(57)61-53)47-23-11-19-39-13-7-9-21-45(39)47)43-29-25-37(26-30-43)38-27-31-44(32-28-38)56-54(42-17-5-2-6-18-42)62-52-36-60-34-50(58(52)64-56)48-24-12-20-40-14-8-10-22-46(40)48/h1-36H
InChIKeyFCURGZCFQUFNGV-UHFFFAOYSA-N
XLogP14.34
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.97
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-naphthalen-1-yl-2-[4-[4-(8-naphthalen-1-yl-3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]-3-phenylpyrido[3,4-b]pyrazine with MolForge

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Related Compounds

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5-(4-naphthalen-2-ylphenyl)-2,3-diphenylquinoxaline
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5-chrysen-3-yl-2,3-diphenylquinoxaline;3-chrysen-3-yl-2-(3-phenylphenyl)benzo[f]quinoxaline;2-chrysen-3-yl-3-(3-phenylphenyl)phenanthro[9,10-b]pyrazine
CID 157359953
2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline
CID 89281033
2-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)-3-phenylbenzo[f]quinoxaline
CID 156512713
6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine
CID 122665268
12-[5-(2,3-diphenylquinoxalin-5-yl)-2-pyridinyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 154952318
3-phenyl-2-[4-[4-(3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]pyrido[3,4-b]pyrazine
CID 20816666
11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine
CID 164767654
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CID 164998499
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Frequently Asked Questions

What is the IUPAC name of 8-naphthalen-1-yl-2-[4-[4-(8-naphthalen-1-yl-3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]-3-phenylpyrido[3,4-b]pyrazine?
The IUPAC name of 8-naphthalen-1-yl-2-[4-[4-(8-naphthalen-1-yl-3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]-3-phenylpyrido[3,4-b]pyrazine (CID 139835708) is 8-naphthalen-1-yl-2-[4-[4-(8-naphthalen-1-yl-3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]-3-phenylpyrido[3,4-b]pyrazine.
What is the SMILES notation for 8-naphthalen-1-yl-2-[4-[4-(8-naphthalen-1-yl-3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]-3-phenylpyrido[3,4-b]pyrazine?
The canonical SMILES for 8-naphthalen-1-yl-2-[4-[4-(8-naphthalen-1-yl-3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]-3-phenylpyrido[3,4-b]pyrazine is c1ccc(-c2nc3cncc(-c4cccc5ccccc45)c3nc2-c2ccc(-c3ccc(-c4nc5c(-c6cccc7ccccc67)cncc5nc4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 8-naphthalen-1-yl-2-[4-[4-(8-naphthalen-1-yl-3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]-3-phenylpyrido[3,4-b]pyrazine?
The InChIKey is FCURGZCFQUFNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N6/c1-3-15-41(16-4-1)53-55(63-57-49(33-59-35-51(57)61-53)47-23-11-19-39-13-7-9-21-45(39)47)43-29-25-37(26-30-43)38-27-31-44(32-28-38)56-54(42-17-5-2-6-18-42)62-52-36-60-34-50(58(52)64-56)48-24-12-20-40-14-8-10-22-46(40)48/h1-36H.
What are the key properties of 8-naphthalen-1-yl-2-[4-[4-(8-naphthalen-1-yl-3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]-3-phenylpyrido[3,4-b]pyrazine?
8-naphthalen-1-yl-2-[4-[4-(8-naphthalen-1-yl-3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]-3-phenylpyrido[3,4-b]pyrazine has a molecular weight of 816.97 g/mol, XLogP of 14.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-naphthalen-1-yl-2-[4-[4-(8-naphthalen-1-yl-3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]-3-phenylpyrido[3,4-b]pyrazine is sourced from PubChem (CID 139835708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).