2-(4-phenylphenyl)-3-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)quinoxaline

C44H36N2 — CID 163963929

IUPAC2-(4-phenylphenyl)-3-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)quinoxaline
SMILESCC1(C)c2cc(-c3nc4ccccc4nc3-c3ccc(-c4ccccc4)cc3)ccc2-c2c(-c3ccccc3)cccc2C1(C)C
InChIInChI=1S/C44H36N2/c1-43(2)36-19-13-18-34(31-16-9-6-10-17-31)40(36)35-27-26-33(28-37(35)44(43,3)4)42-41(45-38-20-11-12-21-39(38)46-42)32-24-22-30(23-25-32)29-14-7-5-8-15-29/h5-28H,1-4H3
InChIKeyIZPCBOVQWIZRLA-UHFFFAOYSA-N
MW592.79 g/mol
LogP11.53
Rot. Bonds4

About 2-(4-phenylphenyl)-3-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)quinoxaline

2-(4-phenylphenyl)-3-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)quinoxaline (PubChem CID 163963929) has the molecular formula C44H36N2 and a molecular weight of 592.79 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-3-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)quinoxaline.

Molecular Properties

Compound Name2-(4-phenylphenyl)-3-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)quinoxaline
PubChem CID163963929
Molecular FormulaC44H36N2
Molecular Weight592.79 g/mol
Exact Mass592.29
IUPAC Name2-(4-phenylphenyl)-3-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)quinoxaline
SMILESCC1(C)c2cc(-c3nc4ccccc4nc3-c3ccc(-c4ccccc4)cc3)ccc2-c2c(-c3ccccc3)cccc2C1(C)C
InChIInChI=1S/C44H36N2/c1-43(2)36-19-13-18-34(31-16-9-6-10-17-31)40(36)35-27-26-33(28-37(35)44(43,3)4)42-41(45-38-20-11-12-21-39(38)46-42)32-24-22-30(23-25-32)29-14-7-5-8-15-29/h5-28H,1-4H3
InChIKeyIZPCBOVQWIZRLA-UHFFFAOYSA-N
XLogP11.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.79
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-diphenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline
CID 163477160
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
N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)aniline
CID 163566029
9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine
CID 163438954
N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-4-yl)phenyl]aniline
CID 176764796
2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-2-yl)quinoxaline
CID 163862522
2-dibenzofuran-3-yl-3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]quinoxaline
CID 163805854
2-phenyl-3-(3-phenylphenyl)quinoxaline
CID 175058958
2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline
CID 164985271
2-[5'-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)-9,9'-spirobi[fluorene]-2'-yl]-3-(3-phenylphenyl)quinoxaline
CID 171051318
2-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-3-phenylquinoxaline;2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline;2-(4-dibenzothiophen-1-ylphenyl)-3-(4-phenylphenyl)quinoxaline;2-dibenzothiophen-1-yl-3-(4-phenylphenyl)quinoxaline
CID 165060519
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-phenylquinoxaline;2-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline;2-(4-dibenzofuran-1-ylphenyl)-3-(4-phenylphenyl)quinoxaline;2-dibenzofuran-1-yl-3-(4-phenylphenyl)quinoxaline
CID 158835789

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-3-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)quinoxaline?
The IUPAC name of 2-(4-phenylphenyl)-3-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)quinoxaline (CID 163963929) is 2-(4-phenylphenyl)-3-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)quinoxaline.
What is the SMILES notation for 2-(4-phenylphenyl)-3-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)quinoxaline?
The canonical SMILES for 2-(4-phenylphenyl)-3-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)quinoxaline is CC1(C)c2cc(-c3nc4ccccc4nc3-c3ccc(-c4ccccc4)cc3)ccc2-c2c(-c3ccccc3)cccc2C1(C)C.
What is the InChIKey of 2-(4-phenylphenyl)-3-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)quinoxaline?
The InChIKey is IZPCBOVQWIZRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2/c1-43(2)36-19-13-18-34(31-16-9-6-10-17-31)40(36)35-27-26-33(28-37(35)44(43,3)4)42-41(45-38-20-11-12-21-39(38)46-42)32-24-22-30(23-25-32)29-14-7-5-8-15-29/h5-28H,1-4H3.
What are the key properties of 2-(4-phenylphenyl)-3-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)quinoxaline?
2-(4-phenylphenyl)-3-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)quinoxaline has a molecular weight of 592.79 g/mol, XLogP of 11.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-3-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)quinoxaline is sourced from PubChem (CID 163963929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).