6-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline

C50H31N5 — CID 145180375

IUPAC6-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline
SMILESc1cc(-c2ccc(-c3nc4ccccc4n4c3cc3ccccc34)cc2)cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C50H31N5/c1-3-12-36-29-41(26-22-32(36)10-1)49-52-48(53-50(54-49)42-27-23-33-11-2-4-13-37(33)30-42)40-16-9-15-38(28-40)34-20-24-35(25-21-34)47-46-31-39-14-5-7-18-44(39)55(46)45-19-8-6-17-43(45)51-47/h1-31H
InChIKeyYLNRJKGEODUQAY-UHFFFAOYSA-N
MW701.83 g/mol
LogP12.47
Rot. Bonds5

About 6-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline

6-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline (PubChem CID 145180375) has the molecular formula C50H31N5 and a molecular weight of 701.83 g/mol. Its IUPAC name is 6-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name6-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline
PubChem CID145180375
Molecular FormulaC50H31N5
Molecular Weight701.83 g/mol
Exact Mass701.26
IUPAC Name6-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline
SMILESc1cc(-c2ccc(-c3nc4ccccc4n4c3cc3ccccc34)cc2)cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C50H31N5/c1-3-12-36-29-41(26-22-32(36)10-1)49-52-48(53-50(54-49)42-27-23-33-11-2-4-13-37(33)30-42)40-16-9-15-38(28-40)34-20-24-35(25-21-34)47-46-31-39-14-5-7-18-44(39)55(46)45-19-8-6-17-43(45)51-47/h1-31H
InChIKeyYLNRJKGEODUQAY-UHFFFAOYSA-N
XLogP12.47
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.83
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[1,2-a]quinoxaline
CID 145180354
6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[1,2-a]quinoxaline
CID 145180162
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline
CID 145180197
2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154626597
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651
2,4-bis(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-naphthalen-2-ylphenyl)phenyl]naphthalene;2-naphthalen-2-yl-4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 163792749
2-[3-[3-[3-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311605
2-[3-[4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-2-ylphenyl]quinoline
CID 118582380
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline?
The IUPAC name of 6-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline (CID 145180375) is 6-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline.
What is the SMILES notation for 6-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline?
The canonical SMILES for 6-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline is c1cc(-c2ccc(-c3nc4ccccc4n4c3cc3ccccc34)cc2)cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1.
What is the InChIKey of 6-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline?
The InChIKey is YLNRJKGEODUQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5/c1-3-12-36-29-41(26-22-32(36)10-1)49-52-48(53-50(54-49)42-27-23-33-11-2-4-13-37(33)30-42)40-16-9-15-38(28-40)34-20-24-35(25-21-34)47-46-31-39-14-5-7-18-44(39)55(46)45-19-8-6-17-43(45)51-47/h1-31H.
What are the key properties of 6-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline?
6-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline has a molecular weight of 701.83 g/mol, XLogP of 12.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline is sourced from PubChem (CID 145180375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).