5-tert-butyl-1-N-(4-tert-butyl-2-phenylphenyl)-2-methyl-3-N-[2-methyl-5-(2-phenylpropan-2-yl)phenyl]-3-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1-N-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)benzene-1,3-diamine

C72H88N2 — CID 166805966

About 5-tert-butyl-1-N-(4-tert-butyl-2-phenylphenyl)-2-methyl-3-N-[2-methyl-5-(2-phenylpropan-2-yl)phenyl]-3-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1-N-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)benzene-1,3-diamine

5-tert-butyl-1-N-(4-tert-butyl-2-phenylphenyl)-2-methyl-3-N-[2-methyl-5-(2-phenylpropan-2-yl)phenyl]-3-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1-N-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)benzene-1,3-diamine (PubChem CID 166805966) has the molecular formula C72H88N2 and a molecular weight of 981.51 g/mol. Its IUPAC name is 5-tert-butyl-1-N-(4-tert-butyl-2-phenylphenyl)-2-methyl-3-N-[2-methyl-5-(2-phenylpropan-2-yl)phenyl]-3-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1-N-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)benzene-1,3-diamine.

Molecular Properties

• Compound Name: 5-tert-butyl-1-N-(4-tert-butyl-2-phenylphenyl)-2-methyl-3-N-[2-methyl-5-(2-phenylpropan-2-yl)phenyl]-3-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1-N-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)benzene-1,3-diamine
• PubChem CID: 166805966
• Molecular Formula: C72H88N2
• Molecular Weight: 981.51 g/mol
• Exact Mass: 980.69
• IUPAC Name: 5-tert-butyl-1-N-(4-tert-butyl-2-phenylphenyl)-2-methyl-3-N-[2-methyl-5-(2-phenylpropan-2-yl)phenyl]-3-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1-N-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)benzene-1,3-diamine
• SMILES: Cc1ccc(C(C)(C)c2ccccc2)cc1N(c1cc2c(cc1C)C(C)(C)CCC2(C)C)c1cc(C(C)(C)C)cc(N(c2cc3c(cc2C)C(C)(C)CC3(C)C)c2ccc(C(C)(C)C)cc2-c2ccccc2)c1C
• InChI: InChI=1S/C72H88N2/c1-46-31-32-53(72(19,20)51-29-25-22-26-30-51)40-61(46)74(63-43-58-56(37-47(63)2)68(11,12)35-36-69(58,13)14)65-42-54(67(8,9)10)41-64(49(65)4)73(62-44-59-57(38-48(62)3)70(15,16)45-71(59,17)18)60-34-33-52(66(5,6)7)39-55(60)50-27-23-21-24-28-50/h21-34,37-44H,35-36,45H2,1-20H3
• InChIKey: ONEHUSJPJXCUCW-UHFFFAOYSA-N
• XLogP: 20.76
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	981.51
LogP ≤ 5	20.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-N-(4-tert-butyl-2-phenylphenyl)-2-methyl-3-N-[2-methyl-5-(2-phenylpropan-2-yl)phenyl]-3-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1-N-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)benzene-1,3-diamine?

The IUPAC name of 5-tert-butyl-1-N-(4-tert-butyl-2-phenylphenyl)-2-methyl-3-N-[2-methyl-5-(2-phenylpropan-2-yl)phenyl]-3-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1-N-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)benzene-1,3-diamine (CID 166805966) is 5-tert-butyl-1-N-(4-tert-butyl-2-phenylphenyl)-2-methyl-3-N-[2-methyl-5-(2-phenylpropan-2-yl)phenyl]-3-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1-N-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)benzene-1,3-diamine.

What is the SMILES notation for 5-tert-butyl-1-N-(4-tert-butyl-2-phenylphenyl)-2-methyl-3-N-[2-methyl-5-(2-phenylpropan-2-yl)phenyl]-3-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1-N-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)benzene-1,3-diamine?

The canonical SMILES for 5-tert-butyl-1-N-(4-tert-butyl-2-phenylphenyl)-2-methyl-3-N-[2-methyl-5-(2-phenylpropan-2-yl)phenyl]-3-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1-N-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)benzene-1,3-diamine is Cc1ccc(C(C)(C)c2ccccc2)cc1N(c1cc2c(cc1C)C(C)(C)CCC2(C)C)c1cc(C(C)(C)C)cc(N(c2cc3c(cc2C)C(C)(C)CC3(C)C)c2ccc(C(C)(C)C)cc2-c2ccccc2)c1C.

What is the InChIKey of 5-tert-butyl-1-N-(4-tert-butyl-2-phenylphenyl)-2-methyl-3-N-[2-methyl-5-(2-phenylpropan-2-yl)phenyl]-3-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1-N-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)benzene-1,3-diamine?

The InChIKey is ONEHUSJPJXCUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H88N2/c1-46-31-32-53(72(19,20)51-29-25-22-26-30-51)40-61(46)74(63-43-58-56(37-47(63)2)68(11,12)35-36-69(58,13)14)65-42-54(67(8,9)10)41-64(49(65)4)73(62-44-59-57(38-48(62)3)70(15,16)45-71(59,17)18)60-34-33-52(66(5,6)7)39-55(60)50-27-23-21-24-28-50/h21-34,37-44H,35-36,45H2,1-20H3.

What are the key properties of 5-tert-butyl-1-N-(4-tert-butyl-2-phenylphenyl)-2-methyl-3-N-[2-methyl-5-(2-phenylpropan-2-yl)phenyl]-3-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1-N-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)benzene-1,3-diamine?

5-tert-butyl-1-N-(4-tert-butyl-2-phenylphenyl)-2-methyl-3-N-[2-methyl-5-(2-phenylpropan-2-yl)phenyl]-3-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1-N-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)benzene-1,3-diamine has a molecular weight of 981.51 g/mol, XLogP of 20.76, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1-N-(4-tert-butyl-2-phenylphenyl)-2-methyl-3-N-[2-methyl-5-(2-phenylpropan-2-yl)phenyl]-3-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1-N-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)benzene-1,3-diamine is sourced from PubChem (CID 166805966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).