9,24-ditert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-28-[2-(6-tert-butyldibenzofuran-4-yl)-2-phenylethyl]-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaen-13-amine

C84H73N3O2 — CID 167104990

About 9,24-ditert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-28-[2-(6-tert-butyldibenzofuran-4-yl)-2-phenylethyl]-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaen-13-amine

9,24-ditert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-28-[2-(6-tert-butyldibenzofuran-4-yl)-2-phenylethyl]-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaen-13-amine (PubChem CID 167104990) has the molecular formula C84H73N3O2 and a molecular weight of 1156.53 g/mol. Its IUPAC name is 9,24-ditert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-28-[2-(6-tert-butyldibenzofuran-4-yl)-2-phenylethyl]-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaen-13-amine.

Molecular Properties

• Compound Name: 9,24-ditert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-28-[2-(6-tert-butyldibenzofuran-4-yl)-2-phenylethyl]-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaen-13-amine
• PubChem CID: 167104990
• Molecular Formula: C84H73N3O2
• Molecular Weight: 1156.53 g/mol
• Exact Mass: 1155.57
• IUPAC Name: 9,24-ditert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-28-[2-(6-tert-butyldibenzofuran-4-yl)-2-phenylethyl]-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaen-13-amine
• SMILES: CC(C)(C)c1ccc2c(c1)c1c(CC(c3ccccc3)c3cccc4c3oc3c(C(C)(C)C)cccc34)ccc3c4cc5c(cc4n2c31)c1ccc(N(c2ccccc2)c2cccc3c2oc2c(C(C)(C)C)cccc23)c2c3cc(C(C)(C)C)ccc3n5c12
• InChI: InChI=1S/C84H73N3O2/c1-81(2,3)50-36-40-67-63(44-50)73-49(43-60(48-23-15-13-16-24-48)59-28-19-27-55-56-29-20-32-65(83(7,8)9)78(56)88-77(55)59)35-38-53-61-46-72-62(47-71(61)86(67)75(53)73)54-39-42-69(74-64-45-51(82(4,5)6)37-41-68(64)87(72)76(54)74)85(52-25-17-14-18-26-52)70-34-22-31-58-57-30-21-33-66(84(10,11)12)79(57)89-80(58)70/h13-42,44-47,60H,43H2,1-12H3
• InChIKey: UKCIZGFCBXOCJR-UHFFFAOYSA-N
• XLogP: 23.82
• TPSA: 38.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1156.53
LogP ≤ 5	23.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9,24-ditert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-28-[2-(6-tert-butyldibenzofuran-4-yl)-2-phenylethyl]-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaen-13-amine?

The IUPAC name of 9,24-ditert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-28-[2-(6-tert-butyldibenzofuran-4-yl)-2-phenylethyl]-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaen-13-amine (CID 167104990) is 9,24-ditert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-28-[2-(6-tert-butyldibenzofuran-4-yl)-2-phenylethyl]-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaen-13-amine.

What is the SMILES notation for 9,24-ditert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-28-[2-(6-tert-butyldibenzofuran-4-yl)-2-phenylethyl]-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaen-13-amine?

The canonical SMILES for 9,24-ditert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-28-[2-(6-tert-butyldibenzofuran-4-yl)-2-phenylethyl]-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaen-13-amine is CC(C)(C)c1ccc2c(c1)c1c(CC(c3ccccc3)c3cccc4c3oc3c(C(C)(C)C)cccc34)ccc3c4cc5c(cc4n2c31)c1ccc(N(c2ccccc2)c2cccc3c2oc2c(C(C)(C)C)cccc23)c2c3cc(C(C)(C)C)ccc3n5c12.

What is the InChIKey of 9,24-ditert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-28-[2-(6-tert-butyldibenzofuran-4-yl)-2-phenylethyl]-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaen-13-amine?

The InChIKey is UKCIZGFCBXOCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H73N3O2/c1-81(2,3)50-36-40-67-63(44-50)73-49(43-60(48-23-15-13-16-24-48)59-28-19-27-55-56-29-20-32-65(83(7,8)9)78(56)88-77(55)59)35-38-53-61-46-72-62(47-71(61)86(67)75(53)73)54-39-42-69(74-64-45-51(82(4,5)6)37-41-68(64)87(72)76(54)74)85(52-25-17-14-18-26-52)70-34-22-31-58-57-30-21-33-66(84(10,11)12)79(57)89-80(58)70/h13-42,44-47,60H,43H2,1-12H3.

What are the key properties of 9,24-ditert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-28-[2-(6-tert-butyldibenzofuran-4-yl)-2-phenylethyl]-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaen-13-amine?

9,24-ditert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-28-[2-(6-tert-butyldibenzofuran-4-yl)-2-phenylethyl]-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaen-13-amine has a molecular weight of 1156.53 g/mol, XLogP of 23.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9,24-ditert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-28-[2-(6-tert-butyldibenzofuran-4-yl)-2-phenylethyl]-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaen-13-amine is sourced from PubChem (CID 167104990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).