26-tert-butyl-7,7-dimethyl-10-N,10-N,22-N,22-N-tetrakis(3-phenylphenyl)-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine

C83H63N3 — CID 164840295

About 26-tert-butyl-7,7-dimethyl-10-N,10-N,22-N,22-N-tetrakis(3-phenylphenyl)-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine

26-tert-butyl-7,7-dimethyl-10-N,10-N,22-N,22-N-tetrakis(3-phenylphenyl)-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine (PubChem CID 164840295) has the molecular formula C83H63N3 and a molecular weight of 1102.44 g/mol. Its IUPAC name is 26-tert-butyl-7,7-dimethyl-10-N,10-N,22-N,22-N-tetrakis(3-phenylphenyl)-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine.

Molecular Properties

• Compound Name: 26-tert-butyl-7,7-dimethyl-10-N,10-N,22-N,22-N-tetrakis(3-phenylphenyl)-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine
• PubChem CID: 164840295
• Molecular Formula: C83H63N3
• Molecular Weight: 1102.44 g/mol
• Exact Mass: 1101.50
• IUPAC Name: 26-tert-butyl-7,7-dimethyl-10-N,10-N,22-N,22-N-tetrakis(3-phenylphenyl)-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine
• SMILES: CC(C)(C)c1ccc2c(c1)c1c(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)ccc3c4ccc5c6c(ccc5c4n2c31)C(C)(C)c1cc(N(c2cccc(-c3ccccc3)c2)c2cccc(-c3ccccc3)c2)ccc1-6
• InChI: InChI=1S/C83H63N3/c1-82(2,3)62-38-46-76-73(52-62)79-77(85(65-36-20-32-60(50-65)56-26-14-8-15-27-56)66-37-21-33-61(51-66)57-28-16-9-17-29-57)47-44-71-70-42-41-68-69(80(70)86(76)81(71)79)43-45-74-78(68)72-40-39-67(53-75(72)83(74,4)5)84(63-34-18-30-58(48-63)54-22-10-6-11-23-54)64-35-19-31-59(49-64)55-24-12-7-13-25-55/h6-53H,1-5H3
• InChIKey: JUPMUVXXSIVJMW-UHFFFAOYSA-N
• XLogP: 23.20
• TPSA: 10.89 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1102.44
LogP ≤ 5	23.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 26-tert-butyl-7,7-dimethyl-10-N,10-N,22-N,22-N-tetrakis(3-phenylphenyl)-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine?

The IUPAC name of 26-tert-butyl-7,7-dimethyl-10-N,10-N,22-N,22-N-tetrakis(3-phenylphenyl)-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine (CID 164840295) is 26-tert-butyl-7,7-dimethyl-10-N,10-N,22-N,22-N-tetrakis(3-phenylphenyl)-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine.

What is the SMILES notation for 26-tert-butyl-7,7-dimethyl-10-N,10-N,22-N,22-N-tetrakis(3-phenylphenyl)-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine?

The canonical SMILES for 26-tert-butyl-7,7-dimethyl-10-N,10-N,22-N,22-N-tetrakis(3-phenylphenyl)-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine is CC(C)(C)c1ccc2c(c1)c1c(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)ccc3c4ccc5c6c(ccc5c4n2c31)C(C)(C)c1cc(N(c2cccc(-c3ccccc3)c2)c2cccc(-c3ccccc3)c2)ccc1-6.

What is the InChIKey of 26-tert-butyl-7,7-dimethyl-10-N,10-N,22-N,22-N-tetrakis(3-phenylphenyl)-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine?

The InChIKey is JUPMUVXXSIVJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H63N3/c1-82(2,3)62-38-46-76-73(52-62)79-77(85(65-36-20-32-60(50-65)56-26-14-8-15-27-56)66-37-21-33-61(51-66)57-28-16-9-17-29-57)47-44-71-70-42-41-68-69(80(70)86(76)81(71)79)43-45-74-78(68)72-40-39-67(53-75(72)83(74,4)5)84(63-34-18-30-58(48-63)54-22-10-6-11-23-54)64-35-19-31-59(49-64)55-24-12-7-13-25-55/h6-53H,1-5H3.

What are the key properties of 26-tert-butyl-7,7-dimethyl-10-N,10-N,22-N,22-N-tetrakis(3-phenylphenyl)-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine?

26-tert-butyl-7,7-dimethyl-10-N,10-N,22-N,22-N-tetrakis(3-phenylphenyl)-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine has a molecular weight of 1102.44 g/mol, XLogP of 23.20, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 26-tert-butyl-7,7-dimethyl-10-N,10-N,22-N,22-N-tetrakis(3-phenylphenyl)-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine is sourced from PubChem (CID 164840295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).