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

C95H107N7O — CID 158714877

IUPACN-[[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
SMILESCC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2ccc(N(C)C)cc2)n1.COc1cccc(-c2cccc(C(Nc3c(C(C)C)cccc3C(C)C)c3ccccc3)n2)c1.Cc1cc(C)cc(-c2cccc(C(Nc3c(C(C)C)cccc3C(C)C)c3ccccc3)n2)c1
InChIInChI=1S/C32H37N3.C32H36N2.C31H34N2O/c1-22(2)27-14-10-15-28(23(3)4)32(27)34-31(25-12-8-7-9-13-25)30-17-11-16-29(33-30)24-18-20-26(21-19-24)35(5)6;1-21(2)27-14-10-15-28(22(3)4)32(27)34-31(25-12-8-7-9-13-25)30-17-11-16-29(33-30)26-19-23(5)18-24(6)20-26;1-21(2)26-16-10-17-27(22(3)4)31(26)33-30(23-12-7-6-8-13-23)29-19-11-18-28(32-29)24-14-9-15-25(20-24)34-5/h7-23,31,34H,1-6H3;7-22,31,34H,1-6H3;6-22,30,33H,1-5H3
InChIKeyIJEOIFKFJVEDME-UHFFFAOYSA-N
MW1362.95 g/mol
LogP25.28
Rot. Bonds23

About 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

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 (PubChem CID 158714877) has the molecular formula C95H107N7O and a molecular weight of 1362.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID158714877
Molecular FormulaC95H107N7O
Molecular Weight1362.95 g/mol
Exact Mass1361.85
IUPAC NameN-[[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
SMILESCC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2ccc(N(C)C)cc2)n1.COc1cccc(-c2cccc(C(Nc3c(C(C)C)cccc3C(C)C)c3ccccc3)n2)c1.Cc1cc(C)cc(-c2cccc(C(Nc3c(C(C)C)cccc3C(C)C)c3ccccc3)n2)c1
InChIInChI=1S/C32H37N3.C32H36N2.C31H34N2O/c1-22(2)27-14-10-15-28(23(3)4)32(27)34-31(25-12-8-7-9-13-25)30-17-11-16-29(33-30)24-18-20-26(21-19-24)35(5)6;1-21(2)27-14-10-15-28(22(3)4)32(27)34-31(25-12-8-7-9-13-25)30-17-11-16-29(33-30)26-19-23(5)18-24(6)20-26;1-21(2)26-16-10-17-27(22(3)4)31(26)33-30(23-12-7-6-8-13-23)29-19-11-18-28(32-29)24-14-9-15-25(20-24)34-5/h7-23,31,34H,1-6H3;7-22,31,34H,1-6H3;6-22,30,33H,1-5H3
InChIKeyIJEOIFKFJVEDME-UHFFFAOYSA-N
XLogP25.28
TPSA87.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001362.95
LogP ≤ 525.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 59760636
N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 20637527
N-[(2-methoxyphenyl)-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline
CID 70645342
N-[anthracen-9-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-diethylaniline;2,6-diethyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline;2,6-diethyl-N-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]aniline;N-[[6-(4-methoxyphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 159661438
4-methoxy-2-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]naphthalen-1-amine;N-[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline;2,4,6-trimethyl-N-[2-phenyl-1-(6-phenyl-2-pyridinyl)ethyl]aniline
CID 159882880
2,6-diethyl-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]aniline;N-[[6-(2,6-difluorophenyl)-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;2-methyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-6-propan-2-ylaniline
CID 158623688
2-butan-2-yl-6-methyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline;N-[[6-(2,4-difluorophenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[[6-(2,6-difluorophenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[[6-(4-methoxyphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 158538371
N-[phenyl-[6-[tri(propan-2-yl)-λ4-sulfanyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline
CID 155246140
N-benzhydryl-2,6-di(propan-2-yl)aniline
CID 100979408
4-(3-methoxyphenyl)-2-(6-propan-2-yl-2-pyridinyl)quinazoline
CID 67699971
6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 175167535
1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43616993

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2ccc(N(C)C)cc2)n1.COc1cccc(-c2cccc(C(Nc3c(C(C)C)cccc3C(C)C)c3ccccc3)n2)c1.Cc1cc(C)cc(-c2cccc(C(Nc3c(C(C)C)cccc3C(C)C)c3ccccc3)n2)c1.
What is the InChIKey of 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?
The InChIKey is IJEOIFKFJVEDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3.C32H36N2.C31H34N2O/c1-22(2)27-14-10-15-28(23(3)4)32(27)34-31(25-12-8-7-9-13-25)30-17-11-16-29(33-30)24-18-20-26(21-19-24)35(5)6;1-21(2)27-14-10-15-28(22(3)4)32(27)34-31(25-12-8-7-9-13-25)30-17-11-16-29(33-30)26-19-23(5)18-24(6)20-26;1-21(2)26-16-10-17-27(22(3)4)31(26)33-30(23-12-7-6-8-13-23)29-19-11-18-28(32-29)24-14-9-15-25(20-24)34-5/h7-23,31,34H,1-6H3;7-22,31,34H,1-6H3;6-22,30,33H,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 1362.95 g/mol, XLogP of 25.28, 23 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158714877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).