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

C58H44N2 — CID 166902423

IUPAC2,3,5-triphenyl-6-[3-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]pyrazine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(-c2cccc(-c4cccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5-c5ccccc5)c4)c2)cccc1C3(C)C
InChIInChI=1S/C58H44N2/c1-57(2)48-31-15-14-29-45(48)46-35-51-47(36-50(46)57)52-44(30-18-32-49(52)58(51,3)4)42-27-16-25-40(33-42)41-26-17-28-43(34-41)56-55(39-23-12-7-13-24-39)59-53(37-19-8-5-9-20-37)54(60-56)38-21-10-6-11-22-38/h5-36H,1-4H3
InChIKeyYTGXSYZZDHGKBV-UHFFFAOYSA-N
MW769.00 g/mol
LogP15.09
Rot. Bonds6

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

2,3,5-triphenyl-6-[3-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]pyrazine (PubChem CID 166902423) has the molecular formula C58H44N2 and a molecular weight of 769.00 g/mol. Its IUPAC name is 2,3,5-triphenyl-6-[3-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]pyrazine.

Molecular Properties

Compound Name2,3,5-triphenyl-6-[3-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]pyrazine
PubChem CID166902423
Molecular FormulaC58H44N2
Molecular Weight769.00 g/mol
Exact Mass768.35
IUPAC Name2,3,5-triphenyl-6-[3-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]pyrazine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(-c2cccc(-c4cccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5-c5ccccc5)c4)c2)cccc1C3(C)C
InChIInChI=1S/C58H44N2/c1-57(2)48-31-15-14-29-45(48)46-35-51-47(36-50(46)57)52-44(30-18-32-49(52)58(51,3)4)42-27-16-25-40(33-42)41-26-17-28-43(34-41)56-55(39-23-12-7-13-24-39)59-53(37-19-8-5-9-20-37)54(60-56)38-21-10-6-11-22-38/h5-36H,1-4H3
InChIKeyYTGXSYZZDHGKBV-UHFFFAOYSA-N
XLogP15.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.00
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine
CID 166901883
2-[3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-4'-yl)phenyl]-3,5,6-triphenylpyrazine
CID 166902209
2-phenyl-4-(4-phenylphenyl)-6-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]-1,3,5-triazine
CID 166901559
2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139400666
2-[3-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134272072
2-[4-[3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine
CID 166903120
4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177115855
4-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272139
N-[3-[10-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169284348
4-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 121450715
N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline
CID 155095533
6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 142541107

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triphenyl-6-[3-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]pyrazine?
The IUPAC name of 2,3,5-triphenyl-6-[3-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]pyrazine (CID 166902423) is 2,3,5-triphenyl-6-[3-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]pyrazine.
What is the SMILES notation for 2,3,5-triphenyl-6-[3-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]pyrazine?
The canonical SMILES for 2,3,5-triphenyl-6-[3-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]pyrazine is CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(-c2cccc(-c4cccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5-c5ccccc5)c4)c2)cccc1C3(C)C.
What is the InChIKey of 2,3,5-triphenyl-6-[3-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]pyrazine?
The InChIKey is YTGXSYZZDHGKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2/c1-57(2)48-31-15-14-29-45(48)46-35-51-47(36-50(46)57)52-44(30-18-32-49(52)58(51,3)4)42-27-16-25-40(33-42)41-26-17-28-43(34-41)56-55(39-23-12-7-13-24-39)59-53(37-19-8-5-9-20-37)54(60-56)38-21-10-6-11-22-38/h5-36H,1-4H3.
What are the key properties of 2,3,5-triphenyl-6-[3-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]pyrazine?
2,3,5-triphenyl-6-[3-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]pyrazine has a molecular weight of 769.00 g/mol, XLogP of 15.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triphenyl-6-[3-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]pyrazine is sourced from PubChem (CID 166902423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).