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

C51H54N6 — CID 163749792

IUPAC4-[4,6-bis[4-(4-tert-butylanilino)phenyl]-1,3,5-triazin-2-yl]-N-(4-tert-butylphenyl)aniline
SMILESCC(C)(C)c1ccc(Nc2ccc(-c3nc(-c4ccc(Nc5ccc(C(C)(C)C)cc5)cc4)nc(-c4ccc(Nc5ccc(C(C)(C)C)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C51H54N6/c1-49(2,3)37-16-28-43(29-17-37)52-40-22-10-34(11-23-40)46-55-47(35-12-24-41(25-13-35)53-44-30-18-38(19-31-44)50(4,5)6)57-48(56-46)36-14-26-42(27-15-36)54-45-32-20-39(21-33-45)51(7,8)9/h10-33,52-54H,1-9H3
InChIKeyLPAHDLUEAYGCCT-UHFFFAOYSA-N
MW751.04 g/mol
LogP14.00
Rot. Bonds9

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

4-[4,6-bis[4-(4-tert-butylanilino)phenyl]-1,3,5-triazin-2-yl]-N-(4-tert-butylphenyl)aniline (PubChem CID 163749792) has the molecular formula C51H54N6 and a molecular weight of 751.04 g/mol. Its IUPAC name is 4-[4,6-bis[4-(4-tert-butylanilino)phenyl]-1,3,5-triazin-2-yl]-N-(4-tert-butylphenyl)aniline.

Molecular Properties

Compound Name4-[4,6-bis[4-(4-tert-butylanilino)phenyl]-1,3,5-triazin-2-yl]-N-(4-tert-butylphenyl)aniline
PubChem CID163749792
Molecular FormulaC51H54N6
Molecular Weight751.04 g/mol
Exact Mass750.44
IUPAC Name4-[4,6-bis[4-(4-tert-butylanilino)phenyl]-1,3,5-triazin-2-yl]-N-(4-tert-butylphenyl)aniline
SMILESCC(C)(C)c1ccc(Nc2ccc(-c3nc(-c4ccc(Nc5ccc(C(C)(C)C)cc5)cc4)nc(-c4ccc(Nc5ccc(C(C)(C)C)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C51H54N6/c1-49(2,3)37-16-28-43(29-17-37)52-40-22-10-34(11-23-40)46-55-47(35-12-24-41(25-13-35)53-44-30-18-38(19-31-44)50(4,5)6)57-48(56-46)36-14-26-42(27-15-36)54-45-32-20-39(21-33-45)51(7,8)9/h10-33,52-54H,1-9H3
InChIKeyLPAHDLUEAYGCCT-UHFFFAOYSA-N
XLogP14.00
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.04
LogP ≤ 514.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 170722335
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 67335182
4-tert-butyl-N-(4-chlorophenyl)aniline
CID 15533800
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-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine
CID 58261754
4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
CID 82028311
N,2-bis(4-tert-butylphenyl)aniline
CID 176593215
N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide
CID 112986729
2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine
CID 118642287
4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine
CID 101085708
2,4-diphenyl-6-[4-[2-[4-(4-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine
CID 121315550

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis[4-(4-tert-butylanilino)phenyl]-1,3,5-triazin-2-yl]-N-(4-tert-butylphenyl)aniline?
The IUPAC name of 4-[4,6-bis[4-(4-tert-butylanilino)phenyl]-1,3,5-triazin-2-yl]-N-(4-tert-butylphenyl)aniline (CID 163749792) is 4-[4,6-bis[4-(4-tert-butylanilino)phenyl]-1,3,5-triazin-2-yl]-N-(4-tert-butylphenyl)aniline.
What is the SMILES notation for 4-[4,6-bis[4-(4-tert-butylanilino)phenyl]-1,3,5-triazin-2-yl]-N-(4-tert-butylphenyl)aniline?
The canonical SMILES for 4-[4,6-bis[4-(4-tert-butylanilino)phenyl]-1,3,5-triazin-2-yl]-N-(4-tert-butylphenyl)aniline is CC(C)(C)c1ccc(Nc2ccc(-c3nc(-c4ccc(Nc5ccc(C(C)(C)C)cc5)cc4)nc(-c4ccc(Nc5ccc(C(C)(C)C)cc5)cc4)n3)cc2)cc1.
What is the InChIKey of 4-[4,6-bis[4-(4-tert-butylanilino)phenyl]-1,3,5-triazin-2-yl]-N-(4-tert-butylphenyl)aniline?
The InChIKey is LPAHDLUEAYGCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H54N6/c1-49(2,3)37-16-28-43(29-17-37)52-40-22-10-34(11-23-40)46-55-47(35-12-24-41(25-13-35)53-44-30-18-38(19-31-44)50(4,5)6)57-48(56-46)36-14-26-42(27-15-36)54-45-32-20-39(21-33-45)51(7,8)9/h10-33,52-54H,1-9H3.
What are the key properties of 4-[4,6-bis[4-(4-tert-butylanilino)phenyl]-1,3,5-triazin-2-yl]-N-(4-tert-butylphenyl)aniline?
4-[4,6-bis[4-(4-tert-butylanilino)phenyl]-1,3,5-triazin-2-yl]-N-(4-tert-butylphenyl)aniline has a molecular weight of 751.04 g/mol, XLogP of 14.00, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis[4-(4-tert-butylanilino)phenyl]-1,3,5-triazin-2-yl]-N-(4-tert-butylphenyl)aniline is sourced from PubChem (CID 163749792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).