2-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-3-phenylquinoxaline

C35H34N2 — CID 170567818

IUPAC2-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-3-phenylquinoxaline
SMILESCC1(C)c2cc(-c3ccccc3)c(-c3nc4ccccc4nc3-c3ccccc3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C35H34N2/c1-33(2)27-21-25(23-15-9-7-10-16-23)26(22-28(27)34(3,4)35(33,5)6)32-31(24-17-11-8-12-18-24)36-29-19-13-14-20-30(29)37-32/h7-22H,1-6H3
InChIKeyWJBCIMPGSFOHRS-UHFFFAOYSA-N
MW482.67 g/mol
LogP9.23
Rot. Bonds3

About 2-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-3-phenylquinoxaline

2-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-3-phenylquinoxaline (PubChem CID 170567818) has the molecular formula C35H34N2 and a molecular weight of 482.67 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-3-phenylquinoxaline.

Molecular Properties

Compound Name2-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-3-phenylquinoxaline
PubChem CID170567818
Molecular FormulaC35H34N2
Molecular Weight482.67 g/mol
Exact Mass482.27
IUPAC Name2-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-3-phenylquinoxaline
SMILESCC1(C)c2cc(-c3ccccc3)c(-c3nc4ccccc4nc3-c3ccccc3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C35H34N2/c1-33(2)27-21-25(23-15-9-7-10-16-23)26(22-28(27)34(3,4)35(33,5)6)32-31(24-17-11-8-12-18-24)36-29-19-13-14-20-30(29)37-32/h7-22H,1-6H3
InChIKeyWJBCIMPGSFOHRS-UHFFFAOYSA-N
XLogP9.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-3-phenylquinoxaline with MolForge

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Related Compounds

2-(4-phenylphenyl)-3-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)quinoxaline
CID 163963929
9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene
CID 59649029
2,3-diphenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline
CID 163477160
2-phenyl-3-(3-phenylphenyl)quinoxaline
CID 175058958
2-(2,5-dibromophenyl)-3-phenylquinoxaline
CID 101356816
7,7,8,8-tetramethyl-2,3-diphenylfuro[2,3-g]quinoxaline
CID 90076977
2,3-bis(3-phenylphenyl)quinoxaline
CID 154589163
N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline
CID 59702515
CID 164943703
CID 164943703
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 156561648
2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 58299261
CID 170567788
CID 170567788

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-3-phenylquinoxaline?
The IUPAC name of 2-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-3-phenylquinoxaline (CID 170567818) is 2-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-3-phenylquinoxaline.
What is the SMILES notation for 2-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-3-phenylquinoxaline?
The canonical SMILES for 2-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-3-phenylquinoxaline is CC1(C)c2cc(-c3ccccc3)c(-c3nc4ccccc4nc3-c3ccccc3)cc2C(C)(C)C1(C)C.
What is the InChIKey of 2-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-3-phenylquinoxaline?
The InChIKey is WJBCIMPGSFOHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N2/c1-33(2)27-21-25(23-15-9-7-10-16-23)26(22-28(27)34(3,4)35(33,5)6)32-31(24-17-11-8-12-18-24)36-29-19-13-14-20-30(29)37-32/h7-22H,1-6H3.
What are the key properties of 2-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-3-phenylquinoxaline?
2-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-3-phenylquinoxaline has a molecular weight of 482.67 g/mol, XLogP of 9.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-3-phenylquinoxaline is sourced from PubChem (CID 170567818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).