2-dibenzofuran-3-yl-3-[10-ethyl-9,9,10-trimethyl-6-[3-[3-[4-[9,10,10-triphenyl-3-[3-(4-phenylphenyl)quinoxalin-2-yl]phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-2-yl]quinoxaline

C109H78N4O — CID 163673915

IUPAC2-dibenzofuran-3-yl-3-[10-ethyl-9,9,10-trimethyl-6-[3-[3-[4-[9,10,10-triphenyl-3-[3-(4-phenylphenyl)quinoxalin-2-yl]phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-2-yl]quinoxaline
SMILESCCC1(C)c2cc(-c3nc4ccccc4nc3-c3ccc4c(c3)oc3ccccc34)ccc2-c2cc(-c3cccc(-c4cccc(-c5ccc(C6(c7ccccc7)c7ccccc7-c7cc(-c8nc9ccccc9nc8-c8ccc(-c9ccccc9)cc8)ccc7C6(c6ccccc6)c6ccccc6)cc5)c4)c3)ccc2C1(C)C
InChIInChI=1S/C109H78N4O/c1-5-107(4)95-68-80(104-105(113-99-46-24-23-45-98(99)112-104)81-55-61-89-88-41-19-25-47-100(88)114-101(89)69-81)54-60-87(95)90-66-78(56-62-92(90)106(107,2)3)77-33-27-32-76(65-77)75-31-26-30-74(64-75)72-52-58-85(59-53-72)109(84-38-16-9-17-39-84)93-42-20-18-40-86(93)91-67-79(57-63-94(91)108(109,82-34-12-7-13-35-82)83-36-14-8-15-37-83)103-102(110-96-43-21-22-44-97(96)111-103)73-50-48-71(49-51-73)70-28-10-6-11-29-70/h6-69H,5H2,1-4H3
InChIKeyJEZCELMECUTXQP-UHFFFAOYSA-N
MW1459.85 g/mol
LogP27.78
Rot. Bonds13

About 2-dibenzofuran-3-yl-3-[10-ethyl-9,9,10-trimethyl-6-[3-[3-[4-[9,10,10-triphenyl-3-[3-(4-phenylphenyl)quinoxalin-2-yl]phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-2-yl]quinoxaline

2-dibenzofuran-3-yl-3-[10-ethyl-9,9,10-trimethyl-6-[3-[3-[4-[9,10,10-triphenyl-3-[3-(4-phenylphenyl)quinoxalin-2-yl]phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-2-yl]quinoxaline (PubChem CID 163673915) has the molecular formula C109H78N4O and a molecular weight of 1459.85 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-3-[10-ethyl-9,9,10-trimethyl-6-[3-[3-[4-[9,10,10-triphenyl-3-[3-(4-phenylphenyl)quinoxalin-2-yl]phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-2-yl]quinoxaline.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-3-[10-ethyl-9,9,10-trimethyl-6-[3-[3-[4-[9,10,10-triphenyl-3-[3-(4-phenylphenyl)quinoxalin-2-yl]phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-2-yl]quinoxaline
PubChem CID163673915
Molecular FormulaC109H78N4O
Molecular Weight1459.85 g/mol
Exact Mass1458.62
IUPAC Name2-dibenzofuran-3-yl-3-[10-ethyl-9,9,10-trimethyl-6-[3-[3-[4-[9,10,10-triphenyl-3-[3-(4-phenylphenyl)quinoxalin-2-yl]phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-2-yl]quinoxaline
SMILESCCC1(C)c2cc(-c3nc4ccccc4nc3-c3ccc4c(c3)oc3ccccc34)ccc2-c2cc(-c3cccc(-c4cccc(-c5ccc(C6(c7ccccc7)c7ccccc7-c7cc(-c8nc9ccccc9nc8-c8ccc(-c9ccccc9)cc8)ccc7C6(c6ccccc6)c6ccccc6)cc5)c4)c3)ccc2C1(C)C
InChIInChI=1S/C109H78N4O/c1-5-107(4)95-68-80(104-105(113-99-46-24-23-45-98(99)112-104)81-55-61-89-88-41-19-25-47-100(88)114-101(89)69-81)54-60-87(95)90-66-78(56-62-92(90)106(107,2)3)77-33-27-32-76(65-77)75-31-26-30-74(64-75)72-52-58-85(59-53-72)109(84-38-16-9-17-39-84)93-42-20-18-40-86(93)91-67-79(57-63-94(91)108(109,82-34-12-7-13-35-82)83-36-14-8-15-37-83)103-102(110-96-43-21-22-44-97(96)111-103)73-50-48-71(49-51-73)70-28-10-6-11-29-70/h6-69H,5H2,1-4H3
InChIKeyJEZCELMECUTXQP-UHFFFAOYSA-N
XLogP27.78
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001459.85
LogP ≤ 527.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-3-yl-3-[10-ethyl-9,9,10-trimethyl-6-[3-[3-[4-[9,10,10-triphenyl-3-[3-(4-phenylphenyl)quinoxalin-2-yl]phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-2-yl]quinoxaline with MolForge

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Related Compounds

2-dibenzofuran-3-yl-3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]quinoxaline
CID 163805854
2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-2-yl)quinoxaline
CID 163862522
2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2,4-diphenyl-6-[3-[2-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[2-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenyl]-1,3,5-triazine
CID 163875373
2,3-diphenyl-6-(9,9,10,10-tetraphenylphenanthren-3-yl)quinoxaline
CID 163454083
2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 163803074
4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603712
2-dibenzofuran-3-yl-3-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)quinoxaline
CID 163833115
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-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
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
4-(4-dibenzofuran-3-ylphenyl)-6-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603427
2-dibenzofuran-3-yl-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681220

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-3-[10-ethyl-9,9,10-trimethyl-6-[3-[3-[4-[9,10,10-triphenyl-3-[3-(4-phenylphenyl)quinoxalin-2-yl]phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-2-yl]quinoxaline?
The IUPAC name of 2-dibenzofuran-3-yl-3-[10-ethyl-9,9,10-trimethyl-6-[3-[3-[4-[9,10,10-triphenyl-3-[3-(4-phenylphenyl)quinoxalin-2-yl]phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-2-yl]quinoxaline (CID 163673915) is 2-dibenzofuran-3-yl-3-[10-ethyl-9,9,10-trimethyl-6-[3-[3-[4-[9,10,10-triphenyl-3-[3-(4-phenylphenyl)quinoxalin-2-yl]phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-2-yl]quinoxaline.
What is the SMILES notation for 2-dibenzofuran-3-yl-3-[10-ethyl-9,9,10-trimethyl-6-[3-[3-[4-[9,10,10-triphenyl-3-[3-(4-phenylphenyl)quinoxalin-2-yl]phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-2-yl]quinoxaline?
The canonical SMILES for 2-dibenzofuran-3-yl-3-[10-ethyl-9,9,10-trimethyl-6-[3-[3-[4-[9,10,10-triphenyl-3-[3-(4-phenylphenyl)quinoxalin-2-yl]phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-2-yl]quinoxaline is CCC1(C)c2cc(-c3nc4ccccc4nc3-c3ccc4c(c3)oc3ccccc34)ccc2-c2cc(-c3cccc(-c4cccc(-c5ccc(C6(c7ccccc7)c7ccccc7-c7cc(-c8nc9ccccc9nc8-c8ccc(-c9ccccc9)cc8)ccc7C6(c6ccccc6)c6ccccc6)cc5)c4)c3)ccc2C1(C)C.
What is the InChIKey of 2-dibenzofuran-3-yl-3-[10-ethyl-9,9,10-trimethyl-6-[3-[3-[4-[9,10,10-triphenyl-3-[3-(4-phenylphenyl)quinoxalin-2-yl]phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-2-yl]quinoxaline?
The InChIKey is JEZCELMECUTXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C109H78N4O/c1-5-107(4)95-68-80(104-105(113-99-46-24-23-45-98(99)112-104)81-55-61-89-88-41-19-25-47-100(88)114-101(89)69-81)54-60-87(95)90-66-78(56-62-92(90)106(107,2)3)77-33-27-32-76(65-77)75-31-26-30-74(64-75)72-52-58-85(59-53-72)109(84-38-16-9-17-39-84)93-42-20-18-40-86(93)91-67-79(57-63-94(91)108(109,82-34-12-7-13-35-82)83-36-14-8-15-37-83)103-102(110-96-43-21-22-44-97(96)111-103)73-50-48-71(49-51-73)70-28-10-6-11-29-70/h6-69H,5H2,1-4H3.
What are the key properties of 2-dibenzofuran-3-yl-3-[10-ethyl-9,9,10-trimethyl-6-[3-[3-[4-[9,10,10-triphenyl-3-[3-(4-phenylphenyl)quinoxalin-2-yl]phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-2-yl]quinoxaline?
2-dibenzofuran-3-yl-3-[10-ethyl-9,9,10-trimethyl-6-[3-[3-[4-[9,10,10-triphenyl-3-[3-(4-phenylphenyl)quinoxalin-2-yl]phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-2-yl]quinoxaline has a molecular weight of 1459.85 g/mol, XLogP of 27.78, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-3-[10-ethyl-9,9,10-trimethyl-6-[3-[3-[4-[9,10,10-triphenyl-3-[3-(4-phenylphenyl)quinoxalin-2-yl]phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-2-yl]quinoxaline is sourced from PubChem (CID 163673915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).