8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene

C67H52N2 — CID 71004390

About 8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene

8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene (PubChem CID 71004390) has the molecular formula C67H52N2 and a molecular weight of 885.17 g/mol. Its IUPAC name is 8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene.

Molecular Properties

• Compound Name: 8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene
• PubChem CID: 71004390
• Molecular Formula: C67H52N2
• Molecular Weight: 885.17 g/mol
• Exact Mass: 884.41
• IUPAC Name: 8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene
• SMILES: Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc3c(cc1N2c1ccccc1)C(C)(C)c1cc2c(cc1-3)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccccc1
• InChI: InChI=1S/C67H52N2/c1-45-35-37-61-57(39-45)66(47-23-11-5-12-24-47,48-25-13-6-14-26-48)59-41-53-54-42-60-64(44-56(54)65(3,4)55(53)43-63(59)68(61)51-31-19-9-20-32-51)69(52-33-21-10-22-34-52)62-38-36-46(2)40-58(62)67(60,49-27-15-7-16-28-49)50-29-17-8-18-30-50/h5-44H,1-4H3
• InChIKey: CXMQSWANVAATNU-UHFFFAOYSA-N
• XLogP: 16.94
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.17
LogP ≤ 5	16.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene?

The IUPAC name of 8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene (CID 71004390) is 8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene.

What is the SMILES notation for 8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene?

The canonical SMILES for 8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene is Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc3c(cc1N2c1ccccc1)C(C)(C)c1cc2c(cc1-3)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccccc1.

What is the InChIKey of 8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene?

The InChIKey is CXMQSWANVAATNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H52N2/c1-45-35-37-61-57(39-45)66(47-23-11-5-12-24-47,48-25-13-6-14-26-48)59-41-53-54-42-60-64(44-56(54)65(3,4)55(53)43-63(59)68(61)51-31-19-9-20-32-51)69(52-33-21-10-22-34-52)62-38-36-46(2)40-58(62)67(60,49-27-15-7-16-28-49)50-29-17-8-18-30-50/h5-44H,1-4H3.

What are the key properties of 8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene?

8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene has a molecular weight of 885.17 g/mol, XLogP of 16.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene is sourced from PubChem (CID 71004390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).