2,3,5-triphenyl-6-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)dibenzofuran-4-yl]pyrazine

C58H42N2O — CID 166902274

IUPAC2,3,5-triphenyl-6-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)dibenzofuran-4-yl]pyrazine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2ccc4oc5c(-c6nc(-c7ccccc7)c(-c7ccccc7)nc6-c6ccccc6)cccc5c4c2)cc1C3(C)C
InChIInChI=1S/C58H42N2O/c1-57(2)47-26-15-14-23-40(47)44-33-50-45(34-49(44)57)41-29-27-39(32-48(41)58(50,3)4)38-28-30-51-46(31-38)42-24-16-25-43(56(42)61-51)55-54(37-21-12-7-13-22-37)59-52(35-17-8-5-9-18-35)53(60-55)36-19-10-6-11-20-36/h5-34H,1-4H3
InChIKeySZYKZQFIYNMKPS-UHFFFAOYSA-N
MW782.99 g/mol
LogP15.32
Rot. Bonds5

About 2,3,5-triphenyl-6-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)dibenzofuran-4-yl]pyrazine

2,3,5-triphenyl-6-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)dibenzofuran-4-yl]pyrazine (PubChem CID 166902274) has the molecular formula C58H42N2O and a molecular weight of 782.99 g/mol. Its IUPAC name is 2,3,5-triphenyl-6-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)dibenzofuran-4-yl]pyrazine.

Molecular Properties

Compound Name2,3,5-triphenyl-6-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)dibenzofuran-4-yl]pyrazine
PubChem CID166902274
Molecular FormulaC58H42N2O
Molecular Weight782.99 g/mol
Exact Mass782.33
IUPAC Name2,3,5-triphenyl-6-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)dibenzofuran-4-yl]pyrazine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2ccc4oc5c(-c6nc(-c7ccccc7)c(-c7ccccc7)nc6-c6ccccc6)cccc5c4c2)cc1C3(C)C
InChIInChI=1S/C58H42N2O/c1-57(2)47-26-15-14-23-40(47)44-33-50-45(34-49(44)57)41-29-27-39(32-48(41)58(50,3)4)38-28-30-51-46(31-38)42-24-16-25-43(56(42)61-51)55-54(37-21-12-7-13-22-37)59-52(35-17-8-5-9-18-35)53(60-55)36-19-10-6-11-20-36/h5-34H,1-4H3
InChIKeySZYKZQFIYNMKPS-UHFFFAOYSA-N
XLogP15.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.99
LogP ≤ 515.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-4-[8-(9,9-dimethylfluoren-1-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 146651225
2-[8-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
CID 176818482
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 160795004
2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121244814
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159465808
6,18-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(9,9-dimethyl-7-phenylfluoren-2-yl)-12-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;4-(12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-2,6-diphenylpyrimidine;4-[3-(12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-2,6-diphenylpyrimidine;4-[18-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-2,6-diphenylpyrimidine;12-phenyl-8,16-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 158609089
4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 166901756
6-bromo-2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 118614795
2,9-bis(4-dibenzofuran-2-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,9-bis(4-dibenzofuran-4-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 159320654
8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 134399160
8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433286
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triphenyl-6-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)dibenzofuran-4-yl]pyrazine?
The IUPAC name of 2,3,5-triphenyl-6-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)dibenzofuran-4-yl]pyrazine (CID 166902274) is 2,3,5-triphenyl-6-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)dibenzofuran-4-yl]pyrazine.
What is the SMILES notation for 2,3,5-triphenyl-6-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)dibenzofuran-4-yl]pyrazine?
The canonical SMILES for 2,3,5-triphenyl-6-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)dibenzofuran-4-yl]pyrazine is CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2ccc4oc5c(-c6nc(-c7ccccc7)c(-c7ccccc7)nc6-c6ccccc6)cccc5c4c2)cc1C3(C)C.
What is the InChIKey of 2,3,5-triphenyl-6-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)dibenzofuran-4-yl]pyrazine?
The InChIKey is SZYKZQFIYNMKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2O/c1-57(2)47-26-15-14-23-40(47)44-33-50-45(34-49(44)57)41-29-27-39(32-48(41)58(50,3)4)38-28-30-51-46(31-38)42-24-16-25-43(56(42)61-51)55-54(37-21-12-7-13-22-37)59-52(35-17-8-5-9-18-35)53(60-55)36-19-10-6-11-20-36/h5-34H,1-4H3.
What are the key properties of 2,3,5-triphenyl-6-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)dibenzofuran-4-yl]pyrazine?
2,3,5-triphenyl-6-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)dibenzofuran-4-yl]pyrazine has a molecular weight of 782.99 g/mol, XLogP of 15.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triphenyl-6-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)dibenzofuran-4-yl]pyrazine is sourced from PubChem (CID 166902274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).