2-(3-bromo-5-tert-butylphenyl)-5-methyl-4-phenylpyridine;3-tert-butyl-N-[3-tert-butyl-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline;2-phenylaniline

C90H86BrN5 — CID 157314790

IUPAC2-(3-bromo-5-tert-butylphenyl)-5-methyl-4-phenylpyridine;3-tert-butyl-N-[3-tert-butyl-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline;2-phenylaniline
SMILESCc1cnc(-c2cc(Br)cc(C(C)(C)C)c2)cc1-c1ccccc1.Cc1cnc(-c2cc(N(c3cc(-c4cc(-c5ccccc5)c(C)cn4)cc(C(C)(C)C)c3)c3ccccc3-c3ccccc3)cc(C(C)(C)C)c2)cc1-c1ccccc1.Nc1ccccc1-c1ccccc1
InChIInChI=1S/C56H53N3.C22H22BrN.C12H11N/c1-38-36-57-52(34-50(38)41-22-14-10-15-23-41)43-28-45(55(3,4)5)32-47(30-43)59(54-27-19-18-26-49(54)40-20-12-9-13-21-40)48-31-44(29-46(33-48)56(6,7)8)53-35-51(39(2)37-58-53)42-24-16-11-17-25-42;1-15-14-24-21(13-20(15)16-8-6-5-7-9-16)17-10-18(22(2,3)4)12-19(23)11-17;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h9-37H,1-8H3;5-14H,1-4H3;1-9H,13H2
InChIKeyBDLSZXXDJJGEKV-UHFFFAOYSA-N
MW1317.62 g/mol
LogP25.21
Rot. Bonds11

About 2-(3-bromo-5-tert-butylphenyl)-5-methyl-4-phenylpyridine;3-tert-butyl-N-[3-tert-butyl-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline;2-phenylaniline

2-(3-bromo-5-tert-butylphenyl)-5-methyl-4-phenylpyridine;3-tert-butyl-N-[3-tert-butyl-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline;2-phenylaniline (PubChem CID 157314790) has the molecular formula C90H86BrN5 and a molecular weight of 1317.62 g/mol. Its IUPAC name is 2-(3-bromo-5-tert-butylphenyl)-5-methyl-4-phenylpyridine;3-tert-butyl-N-[3-tert-butyl-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline;2-phenylaniline.

Molecular Properties

Compound Name2-(3-bromo-5-tert-butylphenyl)-5-methyl-4-phenylpyridine;3-tert-butyl-N-[3-tert-butyl-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline;2-phenylaniline
PubChem CID157314790
Molecular FormulaC90H86BrN5
Molecular Weight1317.62 g/mol
Exact Mass1315.61
IUPAC Name2-(3-bromo-5-tert-butylphenyl)-5-methyl-4-phenylpyridine;3-tert-butyl-N-[3-tert-butyl-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline;2-phenylaniline
SMILESCc1cnc(-c2cc(Br)cc(C(C)(C)C)c2)cc1-c1ccccc1.Cc1cnc(-c2cc(N(c3cc(-c4cc(-c5ccccc5)c(C)cn4)cc(C(C)(C)C)c3)c3ccccc3-c3ccccc3)cc(C(C)(C)C)c2)cc1-c1ccccc1.Nc1ccccc1-c1ccccc1
InChIInChI=1S/C56H53N3.C22H22BrN.C12H11N/c1-38-36-57-52(34-50(38)41-22-14-10-15-23-41)43-28-45(55(3,4)5)32-47(30-43)59(54-27-19-18-26-49(54)40-20-12-9-13-21-40)48-31-44(29-46(33-48)56(6,7)8)53-35-51(39(2)37-58-53)42-24-16-11-17-25-42;1-15-14-24-21(13-20(15)16-8-6-5-7-9-16)17-10-18(22(2,3)4)12-19(23)11-17;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h9-37H,1-8H3;5-14H,1-4H3;1-9H,13H2
InChIKeyBDLSZXXDJJGEKV-UHFFFAOYSA-N
XLogP25.21
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001317.62
LogP ≤ 525.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(3-bromo-5-tert-butylphenyl)-5-methyl-4-phenylpyridine;3-tert-butyl-N-[3-tert-butyl-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline;2-phenylaniline with MolForge

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Related Compounds

(1R,8S,10S)-3-bromo-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-(quinolin-4-ylmethyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
CID 118718011
3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-[(3-bromophenyl)methyl]aniline
CID 141119957
(6-Methyl-3-pyridinyl)boronic acid;2-[3-[3-[3-(6-methyl-3-pyridinyl)phenyl]-5-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine;1,3,5-tris(3-bromophenyl)benzene
CID 157242619
3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]aniline
CID 157358943
4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline
CID 57342783
Holne48
CID 139130263
2-(3-Bromophenyl)-6-[1-(3-bromo-5-pyridin-2-ylphenyl)-1-fluoropropyl]pyridine
CID 58852741
5-[2-[3,5-Bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine
CID 140838547
2-[4-[2-[3,5-Bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine
CID 140838675
2-[4-[2-[3,5-Bis[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-5-(4-fluorophenyl)-4-methylpyridine
CID 140838804
2-[4-[2-[3,5-Bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-5-(3-fluorophenyl)-4-methylpyridine
CID 140838813
2-[3-Bromo-4-[2-[3-[2-[2-bromo-4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]-5-[2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
CID 141674042

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-tert-butylphenyl)-5-methyl-4-phenylpyridine;3-tert-butyl-N-[3-tert-butyl-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline;2-phenylaniline?
The IUPAC name of 2-(3-bromo-5-tert-butylphenyl)-5-methyl-4-phenylpyridine;3-tert-butyl-N-[3-tert-butyl-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline;2-phenylaniline (CID 157314790) is 2-(3-bromo-5-tert-butylphenyl)-5-methyl-4-phenylpyridine;3-tert-butyl-N-[3-tert-butyl-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline;2-phenylaniline.
What is the SMILES notation for 2-(3-bromo-5-tert-butylphenyl)-5-methyl-4-phenylpyridine;3-tert-butyl-N-[3-tert-butyl-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline;2-phenylaniline?
The canonical SMILES for 2-(3-bromo-5-tert-butylphenyl)-5-methyl-4-phenylpyridine;3-tert-butyl-N-[3-tert-butyl-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline;2-phenylaniline is Cc1cnc(-c2cc(Br)cc(C(C)(C)C)c2)cc1-c1ccccc1.Cc1cnc(-c2cc(N(c3cc(-c4cc(-c5ccccc5)c(C)cn4)cc(C(C)(C)C)c3)c3ccccc3-c3ccccc3)cc(C(C)(C)C)c2)cc1-c1ccccc1.Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-(3-bromo-5-tert-butylphenyl)-5-methyl-4-phenylpyridine;3-tert-butyl-N-[3-tert-butyl-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline;2-phenylaniline?
The InChIKey is BDLSZXXDJJGEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H53N3.C22H22BrN.C12H11N/c1-38-36-57-52(34-50(38)41-22-14-10-15-23-41)43-28-45(55(3,4)5)32-47(30-43)59(54-27-19-18-26-49(54)40-20-12-9-13-21-40)48-31-44(29-46(33-48)56(6,7)8)53-35-51(39(2)37-58-53)42-24-16-11-17-25-42;1-15-14-24-21(13-20(15)16-8-6-5-7-9-16)17-10-18(22(2,3)4)12-19(23)11-17;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h9-37H,1-8H3;5-14H,1-4H3;1-9H,13H2.
What are the key properties of 2-(3-bromo-5-tert-butylphenyl)-5-methyl-4-phenylpyridine;3-tert-butyl-N-[3-tert-butyl-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline;2-phenylaniline?
2-(3-bromo-5-tert-butylphenyl)-5-methyl-4-phenylpyridine;3-tert-butyl-N-[3-tert-butyl-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline;2-phenylaniline has a molecular weight of 1317.62 g/mol, XLogP of 25.21, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-tert-butylphenyl)-5-methyl-4-phenylpyridine;3-tert-butyl-N-[3-tert-butyl-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-5-(5-methyl-4-phenyl-2-pyridinyl)-N-(2-phenylphenyl)aniline;2-phenylaniline is sourced from PubChem (CID 157314790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).