N-methyl-N-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline;N,2,4,6-tetramethyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline

C56H56N4 — CID 91123223

IUPACN-methyl-N-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline;N,2,4,6-tetramethyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline
SMILESCC(C)c1ccc(N(C)C(c2cccc(-c3ccccc3)n2)c2ccccc2-c2ccccc2)cc1.Cc1cc(C)c(N(C)Cc2cccc(-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C34H32N2.C22H24N2/c1-25(2)26-21-23-29(24-22-26)36(3)34(31-18-11-10-17-30(31)27-13-6-4-7-14-27)33-20-12-19-32(35-33)28-15-8-5-9-16-28;1-16-13-17(2)22(18(3)14-16)24(4)15-20-11-8-12-21(23-20)19-9-6-5-7-10-19/h4-25,34H,1-3H3;5-14H,15H2,1-4H3
InChIKeyPOEPHPNXQHAWRY-UHFFFAOYSA-N
MW785.09 g/mol
LogP14.08
Rot. Bonds11

About N-methyl-N-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline;N,2,4,6-tetramethyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline

N-methyl-N-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline;N,2,4,6-tetramethyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline (PubChem CID 91123223) has the molecular formula C56H56N4 and a molecular weight of 785.09 g/mol. Its IUPAC name is N-methyl-N-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline;N,2,4,6-tetramethyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline;N,2,4,6-tetramethyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline
PubChem CID91123223
Molecular FormulaC56H56N4
Molecular Weight785.09 g/mol
Exact Mass784.45
IUPAC NameN-methyl-N-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline;N,2,4,6-tetramethyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline
SMILESCC(C)c1ccc(N(C)C(c2cccc(-c3ccccc3)n2)c2ccccc2-c2ccccc2)cc1.Cc1cc(C)c(N(C)Cc2cccc(-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C34H32N2.C22H24N2/c1-25(2)26-21-23-29(24-22-26)36(3)34(31-18-11-10-17-30(31)27-13-6-4-7-14-27)33-20-12-19-32(35-33)28-15-8-5-9-16-28;1-16-13-17(2)22(18(3)14-16)24(4)15-20-11-8-12-21(23-20)19-9-6-5-7-10-19/h4-25,34H,1-3H3;5-14H,15H2,1-4H3
InChIKeyPOEPHPNXQHAWRY-UHFFFAOYSA-N
XLogP14.08
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.09
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline
CID 20829022
tris(dimethylazanide);hafnium;methanidylbenzene;bis((6-naphthalen-1-yl-2-pyridinyl)methyl-(2,4,6-trimethylphenyl)azanide);[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(4-propan-2-ylphenyl)azanide;[phenyl-(6-phenyl-2-pyridinyl)methyl]-(2,4,6-trimethylphenyl)azanide
CID 159897571
hafnium(4+);methanidylbenzene;(2-methyl-4-propan-2-ylphenyl)-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]azanide
CID 58662933
N-[(2-methoxyphenyl)-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline
CID 70645342
N-[[6-[4-(dimethylamino)phenyl]-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[[6-(3-methoxyphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 158714877
N-[anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline;N-[anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline;N-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]-3,5-bis(trifluoromethyl)aniline;2,4,6-trimethyl-N-[1-(6-naphthalen-1-yl-2-pyridinyl)-2-phenylethyl]aniline
CID 158209735
[2,6-di(propan-2-yl)phenyl]-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]azanium
CID 142140371
N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-naphthalen-1-yl-6-phenyl-N-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-amine
CID 177074111
N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 59760636
N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N,4,6-tris(2-phenylphenyl)-1,3,5-triazin-2-amine
CID 177074332
2-(3-methylphenyl)-6-propan-2-ylpyridine
CID 142459956
2-[2-[6-[[2,6-di(propan-2-yl)anilino]methyl]-2-pyridinyl]phenyl]-6-[3,5-di(propan-2-yl)phenyl]-4-methylphenol
CID 158253401

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline;N,2,4,6-tetramethyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline?
The IUPAC name of N-methyl-N-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline;N,2,4,6-tetramethyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline (CID 91123223) is N-methyl-N-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline;N,2,4,6-tetramethyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for N-methyl-N-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline;N,2,4,6-tetramethyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for N-methyl-N-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline;N,2,4,6-tetramethyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline is CC(C)c1ccc(N(C)C(c2cccc(-c3ccccc3)n2)c2ccccc2-c2ccccc2)cc1.Cc1cc(C)c(N(C)Cc2cccc(-c3ccccc3)n2)c(C)c1.
What is the InChIKey of N-methyl-N-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline;N,2,4,6-tetramethyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline?
The InChIKey is POEPHPNXQHAWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2.C22H24N2/c1-25(2)26-21-23-29(24-22-26)36(3)34(31-18-11-10-17-30(31)27-13-6-4-7-14-27)33-20-12-19-32(35-33)28-15-8-5-9-16-28;1-16-13-17(2)22(18(3)14-16)24(4)15-20-11-8-12-21(23-20)19-9-6-5-7-10-19/h4-25,34H,1-3H3;5-14H,15H2,1-4H3.
What are the key properties of N-methyl-N-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline;N,2,4,6-tetramethyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline?
N-methyl-N-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline;N,2,4,6-tetramethyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline has a molecular weight of 785.09 g/mol, XLogP of 14.08, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline;N,2,4,6-tetramethyl-N-[(6-phenyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 91123223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).