N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-3,5-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine

C124H122N4 — CID 158076196

IUPACN-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-3,5-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine
SMILESC=Cc1ccc(C23CC4CC(C2)CC(c2ccc(N(c5ccc(CCCC)cc5)c5ccc(-c6ccc(N(c7ccc(C)cc7)c7cc(C)cc(C)c7)cc6)cc5)cc2)(C4)C3)cc1.C=Cc1ccc(C23CC4CC(C2)CC(c2ccc(N(c5ccc(CCCC)cc5)c5ccc(-c6ccc(N(c7ccc(C)cc7)c7ccc8ccccc8c7)cc6)cc5)cc2)(C4)C3)cc1
InChIInChI=1S/C63H60N2.C61H62N2/c1-4-6-9-47-16-29-57(30-17-47)64(60-36-25-55(26-37-60)63-42-48-38-49(43-63)41-62(40-48,44-63)54-23-14-46(5-2)15-24-54)58-31-18-51(19-32-58)52-20-33-59(34-21-52)65(56-27-12-45(3)13-28-56)61-35-22-50-10-7-8-11-53(50)39-61;1-6-8-9-47-14-26-55(27-15-47)62(58-32-22-53(23-33-58)61-40-48-37-49(41-61)39-60(38-48,42-61)52-20-12-46(7-2)13-21-52)56-28-16-50(17-29-56)51-18-30-57(31-19-51)63(54-24-10-43(3)11-25-54)59-35-44(4)34-45(5)36-59/h5,7-8,10-37,39,48-49H,2,4,6,9,38,40-44H2,1,3H3;7,10-36,48-49H,2,6,8-9,37-42H2,1,3-5H3
InChIKeyFMKANJKMNFGFLI-UHFFFAOYSA-N
MW1668.37 g/mol
LogP34.52
Rot. Bonds26

About N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-3,5-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine

N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-3,5-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine (PubChem CID 158076196) has the molecular formula C124H122N4 and a molecular weight of 1668.37 g/mol. Its IUPAC name is N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-3,5-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-3,5-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine
PubChem CID158076196
Molecular FormulaC124H122N4
Molecular Weight1668.37 g/mol
Exact Mass1666.97
IUPAC NameN-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-3,5-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine
SMILESC=Cc1ccc(C23CC4CC(C2)CC(c2ccc(N(c5ccc(CCCC)cc5)c5ccc(-c6ccc(N(c7ccc(C)cc7)c7cc(C)cc(C)c7)cc6)cc5)cc2)(C4)C3)cc1.C=Cc1ccc(C23CC4CC(C2)CC(c2ccc(N(c5ccc(CCCC)cc5)c5ccc(-c6ccc(N(c7ccc(C)cc7)c7ccc8ccccc8c7)cc6)cc5)cc2)(C4)C3)cc1
InChIInChI=1S/C63H60N2.C61H62N2/c1-4-6-9-47-16-29-57(30-17-47)64(60-36-25-55(26-37-60)63-42-48-38-49(43-63)41-62(40-48,44-63)54-23-14-46(5-2)15-24-54)58-31-18-51(19-32-58)52-20-33-59(34-21-52)65(56-27-12-45(3)13-28-56)61-35-22-50-10-7-8-11-53(50)39-61;1-6-8-9-47-14-26-55(27-15-47)62(58-32-22-53(23-33-58)61-40-48-37-49(41-61)39-60(38-48,42-61)52-20-12-46(7-2)13-21-52)56-28-16-50(17-29-56)51-18-30-57(31-19-51)63(54-24-10-43(3)11-25-54)59-35-44(4)34-45(5)36-59/h5,7-8,10-37,39,48-49H,2,4,6,9,38,40-44H2,1,3H3;7,10-36,48-49H,2,6,8-9,37-42H2,1,3-5H3
InChIKeyFMKANJKMNFGFLI-UHFFFAOYSA-N
XLogP34.52
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001668.37
LogP ≤ 534.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-3,5-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-3,5-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-3,5-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine (CID 158076196) is N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-3,5-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-3,5-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-3,5-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine is C=Cc1ccc(C23CC4CC(C2)CC(c2ccc(N(c5ccc(CCCC)cc5)c5ccc(-c6ccc(N(c7ccc(C)cc7)c7cc(C)cc(C)c7)cc6)cc5)cc2)(C4)C3)cc1.C=Cc1ccc(C23CC4CC(C2)CC(c2ccc(N(c5ccc(CCCC)cc5)c5ccc(-c6ccc(N(c7ccc(C)cc7)c7ccc8ccccc8c7)cc6)cc5)cc2)(C4)C3)cc1.
What is the InChIKey of N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-3,5-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine?
The InChIKey is FMKANJKMNFGFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H60N2.C61H62N2/c1-4-6-9-47-16-29-57(30-17-47)64(60-36-25-55(26-37-60)63-42-48-38-49(43-63)41-62(40-48,44-63)54-23-14-46(5-2)15-24-54)58-31-18-51(19-32-58)52-20-33-59(34-21-52)65(56-27-12-45(3)13-28-56)61-35-22-50-10-7-8-11-53(50)39-61;1-6-8-9-47-14-26-55(27-15-47)62(58-32-22-53(23-33-58)61-40-48-37-49(41-61)39-60(38-48,42-61)52-20-12-46(7-2)13-21-52)56-28-16-50(17-29-56)51-18-30-57(31-19-51)63(54-24-10-43(3)11-25-54)59-35-44(4)34-45(5)36-59/h5,7-8,10-37,39,48-49H,2,4,6,9,38,40-44H2,1,3H3;7,10-36,48-49H,2,6,8-9,37-42H2,1,3-5H3.
What are the key properties of N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-3,5-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine?
N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-3,5-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine has a molecular weight of 1668.37 g/mol, XLogP of 34.52, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-3,5-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-(4-butyl-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine is sourced from PubChem (CID 158076196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).