4-[3-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]pyrido[2,3-b]pyrazin-2-yl]-N,N-bis(4-tert-butylphenyl)aniline

C59H63N5 — CID 118319603

IUPAC4-[3-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]pyrido[2,3-b]pyrazin-2-yl]-N,N-bis(4-tert-butylphenyl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3nc4cccnc4nc3-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C59H63N5/c1-56(2,3)42-19-31-48(32-20-42)63(49-33-21-43(22-34-49)57(4,5)6)46-27-15-40(16-28-46)53-54(62-55-52(61-53)14-13-39-60-55)41-17-29-47(30-18-41)64(50-35-23-44(24-36-50)58(7,8)9)51-37-25-45(26-38-51)59(10,11)12/h13-39H,1-12H3
InChIKeyHXEJLPUEQADMQJ-UHFFFAOYSA-N
MW842.19 g/mol
LogP16.49
Rot. Bonds8

About 4-[3-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]pyrido[2,3-b]pyrazin-2-yl]-N,N-bis(4-tert-butylphenyl)aniline

4-[3-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]pyrido[2,3-b]pyrazin-2-yl]-N,N-bis(4-tert-butylphenyl)aniline (PubChem CID 118319603) has the molecular formula C59H63N5 and a molecular weight of 842.19 g/mol. Its IUPAC name is 4-[3-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]pyrido[2,3-b]pyrazin-2-yl]-N,N-bis(4-tert-butylphenyl)aniline.

Molecular Properties

Compound Name4-[3-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]pyrido[2,3-b]pyrazin-2-yl]-N,N-bis(4-tert-butylphenyl)aniline
PubChem CID118319603
Molecular FormulaC59H63N5
Molecular Weight842.19 g/mol
Exact Mass841.51
IUPAC Name4-[3-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]pyrido[2,3-b]pyrazin-2-yl]-N,N-bis(4-tert-butylphenyl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3nc4cccnc4nc3-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C59H63N5/c1-56(2,3)42-19-31-48(32-20-42)63(49-33-21-43(22-34-49)57(4,5)6)46-27-15-40(16-28-46)53-54(62-55-52(61-53)14-13-39-60-55)41-17-29-47(30-18-41)64(50-35-23-44(24-36-50)58(7,8)9)51-37-25-45(26-38-51)59(10,11)12/h13-39H,1-12H3
InChIKeyHXEJLPUEQADMQJ-UHFFFAOYSA-N
XLogP16.49
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.19
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]pyrido[2,3-b]pyrazin-2-yl]-N,N-bis(4-tert-butylphenyl)aniline with MolForge

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Related Compounds

2,3-bis(4-methoxyphenyl)pyrido[2,3-b]pyrazine
CID 22166291
2,3-bis(4-fluorophenyl)pyrido[2,3-b]pyrazine
CID 23738510
4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline
CID 58370929
7-[5-[4-[3-[4-[5-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-2-yl]phenyl]thiophen-2-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 101215400
2-(4-bromophenyl)-3-phenylpyrido[2,3-b]pyrazine
CID 142746940
4-N-[4-[5-tert-butyl-3-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]quinoxalin-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59259732
4-[4-[2,6-bis[4-(N-phenylanilino)phenyl]-3-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrazino[2,3-b]pyrazin-7-yl]phenyl]-N,N-diphenylaniline
CID 122679799
N,N-bis(4-tert-butylphenyl)pyridin-2-amine
CID 170994719
N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
CID 134425789
4-tert-butyl-N,N-diphenylaniline
CID 11312667
phenazine;pyrido[3,2-b]quinoxaline
CID 134346125
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]pyrido[2,3-b]pyrazin-2-yl]-N,N-bis(4-tert-butylphenyl)aniline?
The IUPAC name of 4-[3-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]pyrido[2,3-b]pyrazin-2-yl]-N,N-bis(4-tert-butylphenyl)aniline (CID 118319603) is 4-[3-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]pyrido[2,3-b]pyrazin-2-yl]-N,N-bis(4-tert-butylphenyl)aniline.
What is the SMILES notation for 4-[3-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]pyrido[2,3-b]pyrazin-2-yl]-N,N-bis(4-tert-butylphenyl)aniline?
The canonical SMILES for 4-[3-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]pyrido[2,3-b]pyrazin-2-yl]-N,N-bis(4-tert-butylphenyl)aniline is CC(C)(C)c1ccc(N(c2ccc(-c3nc4cccnc4nc3-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[3-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]pyrido[2,3-b]pyrazin-2-yl]-N,N-bis(4-tert-butylphenyl)aniline?
The InChIKey is HXEJLPUEQADMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H63N5/c1-56(2,3)42-19-31-48(32-20-42)63(49-33-21-43(22-34-49)57(4,5)6)46-27-15-40(16-28-46)53-54(62-55-52(61-53)14-13-39-60-55)41-17-29-47(30-18-41)64(50-35-23-44(24-36-50)58(7,8)9)51-37-25-45(26-38-51)59(10,11)12/h13-39H,1-12H3.
What are the key properties of 4-[3-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]pyrido[2,3-b]pyrazin-2-yl]-N,N-bis(4-tert-butylphenyl)aniline?
4-[3-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]pyrido[2,3-b]pyrazin-2-yl]-N,N-bis(4-tert-butylphenyl)aniline has a molecular weight of 842.19 g/mol, XLogP of 16.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]pyrido[2,3-b]pyrazin-2-yl]-N,N-bis(4-tert-butylphenyl)aniline is sourced from PubChem (CID 118319603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).