2,3-diphenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline

C38H32N2 — CID 163477160

IUPAC2,3-diphenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)cccc2C1(C)C
InChIInChI=1S/C38H32N2/c1-37(2)30-20-12-11-18-29(30)34-28(19-13-21-31(34)38(37,3)4)27-22-23-32-33(24-27)40-36(26-16-9-6-10-17-26)35(39-32)25-14-7-5-8-15-25/h5-24H,1-4H3
InChIKeyQGBAFSBLMIMXOZ-UHFFFAOYSA-N
MW516.69 g/mol
LogP9.87
Rot. Bonds3

About 2,3-diphenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline

2,3-diphenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline (PubChem CID 163477160) has the molecular formula C38H32N2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 2,3-diphenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline.

Molecular Properties

Compound Name2,3-diphenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline
PubChem CID163477160
Molecular FormulaC38H32N2
Molecular Weight516.69 g/mol
Exact Mass516.26
IUPAC Name2,3-diphenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)cccc2C1(C)C
InChIInChI=1S/C38H32N2/c1-37(2)30-20-12-11-18-29(30)34-28(19-13-21-31(34)38(37,3)4)27-22-23-32-33(24-27)40-36(26-16-9-6-10-17-26)35(39-32)25-14-7-5-8-15-25/h5-24H,1-4H3
InChIKeyQGBAFSBLMIMXOZ-UHFFFAOYSA-N
XLogP9.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-phenylphenyl)-3-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)quinoxaline
CID 163963929
N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-4-yl)phenyl]aniline
CID 176764796
2,4-diphenyl-6-[4-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)phenyl]-1,3,5-triazine;2,3-diphenyl-6-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)quinoxaline
CID 163610599
2,3-diphenyl-6-(9,9,10,10-tetraphenylphenanthren-3-yl)quinoxaline
CID 163454083
2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)benzo[f]quinoxaline
CID 163530857
3-phenyl-2-(9,9,10,10-tetramethylphenanthren-1-yl)benzo[f]quinoxaline
CID 163468133
6-chloro-3-(4-chlorophenyl)-2-phenylquinoxaline
CID 132520838
6-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-2,3-diphenylquinoxaline
CID 59196250
2,3,5-triphenyl-6-[3-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]pyrazine
CID 166902423
9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine
CID 163438954
19-(2,3-diphenylquinoxalin-6-yl)-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-thioxanthene]
CID 146615957
2-(23,23-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaenyl)-3-phenylquinoxaline
CID 164721777

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline?
The IUPAC name of 2,3-diphenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline (CID 163477160) is 2,3-diphenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline.
What is the SMILES notation for 2,3-diphenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline?
The canonical SMILES for 2,3-diphenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline is CC1(C)c2ccccc2-c2c(-c3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)cccc2C1(C)C.
What is the InChIKey of 2,3-diphenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline?
The InChIKey is QGBAFSBLMIMXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2/c1-37(2)30-20-12-11-18-29(30)34-28(19-13-21-31(34)38(37,3)4)27-22-23-32-33(24-27)40-36(26-16-9-6-10-17-26)35(39-32)25-14-7-5-8-15-25/h5-24H,1-4H3.
What are the key properties of 2,3-diphenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline?
2,3-diphenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline has a molecular weight of 516.69 g/mol, XLogP of 9.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline is sourced from PubChem (CID 163477160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).