2,3-bis(4-naphthalen-2-ylphenyl)-1,8a-dihydroquinoxaline

C40H28N2 — CID 166995314

IUPAC2,3-bis(4-naphthalen-2-ylphenyl)-1,8a-dihydroquinoxaline
SMILESC1=CC2=NC(c3ccc(-c4ccc5ccccc5c4)cc3)=C(c3ccc(-c4ccc5ccccc5c4)cc3)NC2C=C1
InChIInChI=1S/C40H28N2/c1-3-9-33-25-35(23-17-27(33)7-1)29-13-19-31(20-14-29)39-40(42-38-12-6-5-11-37(38)41-39)32-21-15-30(16-22-32)36-24-18-28-8-2-4-10-34(28)26-36/h1-26,37,41H
InChIKeyIHLOPEAPBZLAIU-UHFFFAOYSA-N
MW536.68 g/mol
LogP9.69
Rot. Bonds4

About 2,3-bis(4-naphthalen-2-ylphenyl)-1,8a-dihydroquinoxaline

2,3-bis(4-naphthalen-2-ylphenyl)-1,8a-dihydroquinoxaline (PubChem CID 166995314) has the molecular formula C40H28N2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 2,3-bis(4-naphthalen-2-ylphenyl)-1,8a-dihydroquinoxaline.

Molecular Properties

Compound Name2,3-bis(4-naphthalen-2-ylphenyl)-1,8a-dihydroquinoxaline
PubChem CID166995314
Molecular FormulaC40H28N2
Molecular Weight536.68 g/mol
Exact Mass536.23
IUPAC Name2,3-bis(4-naphthalen-2-ylphenyl)-1,8a-dihydroquinoxaline
SMILESC1=CC2=NC(c3ccc(-c4ccc5ccccc5c4)cc3)=C(c3ccc(-c4ccc5ccccc5c4)cc3)NC2C=C1
InChIInChI=1S/C40H28N2/c1-3-9-33-25-35(23-17-27(33)7-1)29-13-19-31(20-14-29)39-40(42-38-12-6-5-11-37(38)41-39)32-21-15-30(16-22-32)36-24-18-28-8-2-4-10-34(28)26-36/h1-26,37,41H
InChIKeyIHLOPEAPBZLAIU-UHFFFAOYSA-N
XLogP9.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 59.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-phenyl-1,8a-dihydroquinoxaline
CID 134416710
9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole
CID 121356812
16,16,19,19-tetramethyl-12-[4-(3-naphthalen-2-yl-1,8a-dihydroquinoxalin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,7,9,13,15(20)-heptaene
CID 170018249
24-naphthalen-2-yl-27-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2(11),5,7,9,12,14,16(30),17(29),18,20(28),21(26),22,24-tridecaene
CID 144984771
14-naphthalen-2-yl-27-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2(11),3,5,7,12,14,16(30),17(29),18,20(28),21,23,25-tridecaene
CID 118615447
benzo[f]azulene
CID 13065869
trimethyl-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]silane
CID 171056374
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
2-naphthalen-2-yl-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176588187
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
6-[4-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)-5-phenylphenyl]phenyl]-4a,5-dihydrophenanthridine
CID 129201347
4-chloro-2-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030048

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-naphthalen-2-ylphenyl)-1,8a-dihydroquinoxaline?
The IUPAC name of 2,3-bis(4-naphthalen-2-ylphenyl)-1,8a-dihydroquinoxaline (CID 166995314) is 2,3-bis(4-naphthalen-2-ylphenyl)-1,8a-dihydroquinoxaline.
What is the SMILES notation for 2,3-bis(4-naphthalen-2-ylphenyl)-1,8a-dihydroquinoxaline?
The canonical SMILES for 2,3-bis(4-naphthalen-2-ylphenyl)-1,8a-dihydroquinoxaline is C1=CC2=NC(c3ccc(-c4ccc5ccccc5c4)cc3)=C(c3ccc(-c4ccc5ccccc5c4)cc3)NC2C=C1.
What is the InChIKey of 2,3-bis(4-naphthalen-2-ylphenyl)-1,8a-dihydroquinoxaline?
The InChIKey is IHLOPEAPBZLAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2/c1-3-9-33-25-35(23-17-27(33)7-1)29-13-19-31(20-14-29)39-40(42-38-12-6-5-11-37(38)41-39)32-21-15-30(16-22-32)36-24-18-28-8-2-4-10-34(28)26-36/h1-26,37,41H.
What are the key properties of 2,3-bis(4-naphthalen-2-ylphenyl)-1,8a-dihydroquinoxaline?
2,3-bis(4-naphthalen-2-ylphenyl)-1,8a-dihydroquinoxaline has a molecular weight of 536.68 g/mol, XLogP of 9.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-naphthalen-2-ylphenyl)-1,8a-dihydroquinoxaline is sourced from PubChem (CID 166995314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).