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

C130H127F3N8 — CID 158623688

IUPAC2,6-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
SMILESCC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2c(F)cccc2F)n1.CCc1cccc(CC)c1NC(c1cccc(-c2ccc(F)cc2)n1)c1cc2ccccc2c2ccccc12.Cc1cc(C)cc(-c2cccc(C(Nc3c(C(C)C)cccc3C(C)C)c3ccccc3)n2)c1.Cc1cccc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C36H31FN2.C32H30N2.C32H36N2.C30H30F2N2/c1-3-24-12-9-13-25(4-2)35(24)39-36(34-18-10-17-33(38-34)26-19-21-28(37)22-20-26)32-23-27-11-5-6-14-29(27)30-15-7-8-16-31(30)32;1-22(2)26-18-9-12-23(3)31(26)34-32(25-14-5-4-6-15-25)30-21-11-20-29(33-30)28-19-10-16-24-13-7-8-17-27(24)28;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;1-19(2)22-13-8-14-23(20(3)4)30(22)34-29(21-11-6-5-7-12-21)27-18-10-17-26(33-27)28-24(31)15-9-16-25(28)32/h5-23,36,39H,3-4H2,1-2H3;4-22,32,34H,1-3H3;7-22,31,34H,1-6H3;5-20,29,34H,1-4H3
InChIKeyHYHWVHKFYVYHJI-UHFFFAOYSA-N
MW1858.50 g/mol
LogP35.34
Rot. Bonds27

About 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

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 (PubChem CID 158623688) has the molecular formula C130H127F3N8 and a molecular weight of 1858.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,6-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
PubChem CID158623688
Molecular FormulaC130H127F3N8
Molecular Weight1858.50 g/mol
Exact Mass1857.01
IUPAC Name2,6-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
SMILESCC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2c(F)cccc2F)n1.CCc1cccc(CC)c1NC(c1cccc(-c2ccc(F)cc2)n1)c1cc2ccccc2c2ccccc12.Cc1cc(C)cc(-c2cccc(C(Nc3c(C(C)C)cccc3C(C)C)c3ccccc3)n2)c1.Cc1cccc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C36H31FN2.C32H30N2.C32H36N2.C30H30F2N2/c1-3-24-12-9-13-25(4-2)35(24)39-36(34-18-10-17-33(38-34)26-19-21-28(37)22-20-26)32-23-27-11-5-6-14-29(27)30-15-7-8-16-31(30)32;1-22(2)26-18-9-12-23(3)31(26)34-32(25-14-5-4-6-15-25)30-21-11-20-29(33-30)28-19-10-16-24-13-7-8-17-27(24)28;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;1-19(2)22-13-8-14-23(20(3)4)30(22)34-29(21-11-6-5-7-12-21)27-18-10-17-26(33-27)28-24(31)15-9-16-25(28)32/h5-23,36,39H,3-4H2,1-2H3;4-22,32,34H,1-3H3;7-22,31,34H,1-6H3;5-20,29,34H,1-4H3
InChIKeyHYHWVHKFYVYHJI-UHFFFAOYSA-N
XLogP35.34
TPSA99.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001858.50
LogP ≤ 535.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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
4-[[3-[[2,6-di(propan-2-yl)anilino]-(6-naphthalen-1-yl-2-pyridinyl)methyl]-5-methylphenyl]methyl]-N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline
CID 142140323
N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 20637527
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-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 59760636
(Z)-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]hept-3-en-4-amine
CID 142140466
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
N-[1-(6-naphthalen-1-yl-2-pyridinyl)pentyl]-2,6-di(propan-2-yl)aniline
CID 20637516
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
[[6-(2,5-dihydronaphthalen-5-ylium-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]-[2,6-di(propan-2-yl)phenyl]azanide;bis(dimethylazanide);hafnium(4+);N-[(6-naphthalen-1-yl-2-pyridinyl)-phenanthren-9-ylmethyl]-2,6-di(propan-2-yl)aniline
CID 162282168
N-[(R)-[6-(1H-indol-2-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 102236465

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2c(F)cccc2F)n1.CCc1cccc(CC)c1NC(c1cccc(-c2ccc(F)cc2)n1)c1cc2ccccc2c2ccccc12.Cc1cc(C)cc(-c2cccc(C(Nc3c(C(C)C)cccc3C(C)C)c3ccccc3)n2)c1.Cc1cccc(C(C)C)c1NC(c1ccccc1)c1cccc(-c2cccc3ccccc23)n1.
What is the InChIKey of 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?
The InChIKey is HYHWVHKFYVYHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31FN2.C32H30N2.C32H36N2.C30H30F2N2/c1-3-24-12-9-13-25(4-2)35(24)39-36(34-18-10-17-33(38-34)26-19-21-28(37)22-20-26)32-23-27-11-5-6-14-29(27)30-15-7-8-16-31(30)32;1-22(2)26-18-9-12-23(3)31(26)34-32(25-14-5-4-6-15-25)30-21-11-20-29(33-30)28-19-10-16-24-13-7-8-17-27(24)28;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;1-19(2)22-13-8-14-23(20(3)4)30(22)34-29(21-11-6-5-7-12-21)27-18-10-17-26(33-27)28-24(31)15-9-16-25(28)32/h5-23,36,39H,3-4H2,1-2H3;4-22,32,34H,1-3H3;7-22,31,34H,1-6H3;5-20,29,34H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1858.50 g/mol, XLogP of 35.34, 27 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158623688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).