4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]-N,N-bis(4-tert-butylphenyl)aniline

C59H62N6 — CID 155784369

IUPAC4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]-N,N-bis(4-tert-butylphenyl)aniline
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cnc(-c4cccc(-c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5)c4)nc3)n2)cc1
InChIInChI=1S/C59H62N6/c1-56(2,3)45-22-16-40(17-23-45)53-62-54(41-18-24-46(25-19-41)57(4,5)6)64-55(63-53)44-37-60-52(61-38-44)43-15-13-14-42(36-43)39-20-30-49(31-21-39)65(50-32-26-47(27-33-50)58(7,8)9)51-34-28-48(29-35-51)59(10,11)12/h13-38H,1-12H3
InChIKeyYOPGQJMBJKCSFI-UHFFFAOYSA-N
MW855.19 g/mol
LogP15.66
Rot. Bonds8

About 4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]-N,N-bis(4-tert-butylphenyl)aniline

4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]-N,N-bis(4-tert-butylphenyl)aniline (PubChem CID 155784369) has the molecular formula C59H62N6 and a molecular weight of 855.19 g/mol. Its IUPAC name is 4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]-N,N-bis(4-tert-butylphenyl)aniline.

Molecular Properties

Compound Name4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]-N,N-bis(4-tert-butylphenyl)aniline
PubChem CID155784369
Molecular FormulaC59H62N6
Molecular Weight855.19 g/mol
Exact Mass854.50
IUPAC Name4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]-N,N-bis(4-tert-butylphenyl)aniline
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cnc(-c4cccc(-c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5)c4)nc3)n2)cc1
InChIInChI=1S/C59H62N6/c1-56(2,3)45-22-16-40(17-23-45)53-62-54(41-18-24-46(25-19-41)57(4,5)6)64-55(63-53)44-37-60-52(61-38-44)43-15-13-14-42(36-43)39-20-30-49(31-21-39)65(50-32-26-47(27-33-50)58(7,8)9)51-34-28-48(29-35-51)59(10,11)12/h13-38H,1-12H3
InChIKeyYOPGQJMBJKCSFI-UHFFFAOYSA-N
XLogP15.66
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.19
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]-N,N-bis(4-tert-butylphenyl)aniline with MolForge

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Related Compounds

4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]benzene-4-id-1-yl]-N,N-bis(4-tert-butylphenyl)aniline;iridium
CID 155784368
4-(4-tert-butylphenyl)-14-phenyl-3,5,13,15,28,30-hexazahexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(25),2(30),3,5,7,9,11(29),12,14,16(28),17,19,21(27),22(26),23-pentadecaene
CID 134507698
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)pyrimidin-5-amine;ethane
CID 144768267
3-(5-tert-butylpyrimidin-2-yl)-N,N-diphenylaniline
CID 140591619
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 101484200
N-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]-4-[3-(4-trimethylsilylphenyl)phenyl]-N-[4-[3-(4-trimethylstannylphenyl)phenyl]phenyl]aniline
CID 58132054
N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 58028600
2-tert-butyl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168803489
2,4-bis(4-tert-butylphenyl)-6-[4-[4-(5-phenyl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 67334150
4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline
CID 145009490
4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline
CID 59012307

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]-N,N-bis(4-tert-butylphenyl)aniline?
The IUPAC name of 4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]-N,N-bis(4-tert-butylphenyl)aniline (CID 155784369) is 4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]-N,N-bis(4-tert-butylphenyl)aniline.
What is the SMILES notation for 4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]-N,N-bis(4-tert-butylphenyl)aniline?
The canonical SMILES for 4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]-N,N-bis(4-tert-butylphenyl)aniline is CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cnc(-c4cccc(-c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5)c4)nc3)n2)cc1.
What is the InChIKey of 4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]-N,N-bis(4-tert-butylphenyl)aniline?
The InChIKey is YOPGQJMBJKCSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H62N6/c1-56(2,3)45-22-16-40(17-23-45)53-62-54(41-18-24-46(25-19-41)57(4,5)6)64-55(63-53)44-37-60-52(61-38-44)43-15-13-14-42(36-43)39-20-30-49(31-21-39)65(50-32-26-47(27-33-50)58(7,8)9)51-34-28-48(29-35-51)59(10,11)12/h13-38H,1-12H3.
What are the key properties of 4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]-N,N-bis(4-tert-butylphenyl)aniline?
4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]-N,N-bis(4-tert-butylphenyl)aniline has a molecular weight of 855.19 g/mol, XLogP of 15.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]-N,N-bis(4-tert-butylphenyl)aniline is sourced from PubChem (CID 155784369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).