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

C71H72N4 — CID 142140323

IUPAC4-[[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
SMILESCc1cc(Cc2cc(C(C)C)c(NC(c3cccc(-c4cccc5ccccc45)n3)c3ccccc3C)c(C(C)C)c2)cc(C(Nc2c(C(C)C)cccc2C(C)C)c2cccc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C71H72N4/c1-44(2)55-30-19-31-56(45(3)4)69(55)74-68(66-36-20-34-64(72-66)60-32-17-25-52-23-12-15-28-58(52)60)54-39-48(9)38-50(41-54)40-51-42-62(46(5)6)70(63(43-51)47(7)8)75-71(57-27-14-11-22-49(57)10)67-37-21-35-65(73-67)61-33-18-26-53-24-13-16-29-59(53)61/h11-39,41-47,68,71,74-75H,40H2,1-10H3
InChIKeySZQFGDRFYFAJGD-UHFFFAOYSA-N
MW981.38 g/mol
LogP19.22
Rot. Bonds16

About 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

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 (PubChem CID 142140323) has the molecular formula C71H72N4 and a molecular weight of 981.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[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
PubChem CID142140323
Molecular FormulaC71H72N4
Molecular Weight981.38 g/mol
Exact Mass980.58
IUPAC Name4-[[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
SMILESCc1cc(Cc2cc(C(C)C)c(NC(c3cccc(-c4cccc5ccccc45)n3)c3ccccc3C)c(C(C)C)c2)cc(C(Nc2c(C(C)C)cccc2C(C)C)c2cccc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C71H72N4/c1-44(2)55-30-19-31-56(45(3)4)69(55)74-68(66-36-20-34-64(72-66)60-32-17-25-52-23-12-15-28-58(52)60)54-39-48(9)38-50(41-54)40-51-42-62(46(5)6)70(63(43-51)47(7)8)75-71(57-27-14-11-22-49(57)10)67-37-21-35-65(73-67)61-33-18-26-53-24-13-16-29-59(53)61/h11-39,41-47,68,71,74-75H,40H2,1-10H3
InChIKeySZQFGDRFYFAJGD-UHFFFAOYSA-N
XLogP19.22
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.38
LogP ≤ 519.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 20637527
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
N-[1-(6-naphthalen-1-yl-2-pyridinyl)pentyl]-2,6-di(propan-2-yl)aniline
CID 20637516
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
N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 59760636
N-(1-naphthalen-1-ylethyl)-4-[[4-(1-naphthalen-1-ylethylamino)-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline
CID 67447245
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-di(propan-2-yl)-N-[(R)-(2-propan-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)methyl]aniline
CID 102236466
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-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine
CID 22292706
N-[(R)-[6-(1H-indol-2-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 102236465
N-[(6-naphthalen-1-yl-2-pyridinyl)-(5-propan-2-ylcyclopenta-1,4-dien-1-yl)methyl]-2-propan-2-ylaniline
CID 153345248

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Cc2cc(C(C)C)c(NC(c3cccc(-c4cccc5ccccc45)n3)c3ccccc3C)c(C(C)C)c2)cc(C(Nc2c(C(C)C)cccc2C(C)C)c2cccc(-c3cccc4ccccc34)n2)c1.
What is the InChIKey of 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?
The InChIKey is SZQFGDRFYFAJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H72N4/c1-44(2)55-30-19-31-56(45(3)4)69(55)74-68(66-36-20-34-64(72-66)60-32-17-25-52-23-12-15-28-58(52)60)54-39-48(9)38-50(41-54)40-51-42-62(46(5)6)70(63(43-51)47(7)8)75-71(57-27-14-11-22-49(57)10)67-37-21-35-65(73-67)61-33-18-26-53-24-13-16-29-59(53)61/h11-39,41-47,68,71,74-75H,40H2,1-10H3.
What are the key properties of 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?
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 has a molecular weight of 981.38 g/mol, XLogP of 19.22, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142140323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).