2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline

C68H42N2 — CID 89281033

IUPAC2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6nc5-c5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cc5)cc4)c4ccccc34)cccc2c1
InChIInChI=1S/C68H42N2/c1-3-21-49-43(17-1)19-15-31-51(49)65-57-27-9-5-23-53(57)63(54-24-6-10-28-58(54)65)45-35-39-47(40-36-45)67-68(70-62-34-14-13-33-61(62)69-67)48-41-37-46(38-42-48)64-55-25-7-11-29-59(55)66(60-30-12-8-26-56(60)64)52-32-16-20-44-18-2-4-22-50(44)52/h1-42H
InChIKeyCHELVJFQPBNJSG-UHFFFAOYSA-N
MW887.10 g/mol
LogP18.55
Rot. Bonds6

About 2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline

2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline (PubChem CID 89281033) has the molecular formula C68H42N2 and a molecular weight of 887.10 g/mol. Its IUPAC name is 2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline.

Molecular Properties

Compound Name2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline
PubChem CID89281033
Molecular FormulaC68H42N2
Molecular Weight887.10 g/mol
Exact Mass886.33
IUPAC Name2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6nc5-c5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cc5)cc4)c4ccccc34)cccc2c1
InChIInChI=1S/C68H42N2/c1-3-21-49-43(17-1)19-15-31-51(49)65-57-27-9-5-23-53(57)63(54-24-6-10-28-58(54)65)45-35-39-47(40-36-45)67-68(70-62-34-14-13-33-61(62)69-67)48-41-37-46(38-42-48)64-55-25-7-11-29-59(55)66(60-30-12-8-26-56(60)64)52-32-16-20-44-18-2-4-22-50(44)52/h1-42H
InChIKeyCHELVJFQPBNJSG-UHFFFAOYSA-N
XLogP18.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.10
LogP ≤ 518.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indolo[1,2-a]quinoxaline
CID 145180592
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
4-(10-naphthalen-1-ylanthracen-9-yl)pyridine
CID 89341882
9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene
CID 145157949
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol
CID 162006914
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine
CID 121338692
9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene
CID 168786911
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
18-(10-naphthalen-1-ylanthracen-9-yl)-22-phenyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 118546448
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 172546641

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline?
The IUPAC name of 2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline (CID 89281033) is 2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline.
What is the SMILES notation for 2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline?
The canonical SMILES for 2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline is c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6nc5-c5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cc5)cc4)c4ccccc34)cccc2c1.
What is the InChIKey of 2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline?
The InChIKey is CHELVJFQPBNJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N2/c1-3-21-49-43(17-1)19-15-31-51(49)65-57-27-9-5-23-53(57)63(54-24-6-10-28-58(54)65)45-35-39-47(40-36-45)67-68(70-62-34-14-13-33-61(62)69-67)48-41-37-46(38-42-48)64-55-25-7-11-29-59(55)66(60-30-12-8-26-56(60)64)52-32-16-20-44-18-2-4-22-50(44)52/h1-42H.
What are the key properties of 2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline?
2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline has a molecular weight of 887.10 g/mol, XLogP of 18.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline is sourced from PubChem (CID 89281033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).