6,12,21,27-tetranaphthalen-1-yl-6,12,21,27-tetrazaheptacyclo[26.2.2.22,5.213,16.217,20.17,11.122,26]tetraconta-1(31),2(40),3,5(39),7(38),8,10,13,15,17(35),18,20(34),22,24,26(33),28(32),29,36-octadecaene

C76H52N4 — CID 20740992

About 6,12,21,27-tetranaphthalen-1-yl-6,12,21,27-tetrazaheptacyclo[26.2.2.22,5.213,16.217,20.17,11.122,26]tetraconta-1(31),2(40),3,5(39),7(38),8,10,13,15,17(35),18,20(34),22,24,26(33),28(32),29,36-octadecaene

6,12,21,27-tetranaphthalen-1-yl-6,12,21,27-tetrazaheptacyclo[26.2.2.22,5.213,16.217,20.17,11.122,26]tetraconta-1(31),2(40),3,5(39),7(38),8,10,13,15,17(35),18,20(34),22,24,26(33),28(32),29,36-octadecaene (PubChem CID 20740992) has the molecular formula C76H52N4 and a molecular weight of 1021.28 g/mol. Its IUPAC name is 6,12,21,27-tetranaphthalen-1-yl-6,12,21,27-tetrazaheptacyclo[26.2.2.22,5.213,16.217,20.17,11.122,26]tetraconta-1(31),2(40),3,5(39),7(38),8,10,13,15,17(35),18,20(34),22,24,26(33),28(32),29,36-octadecaene.

Molecular Properties

• Compound Name: 6,12,21,27-tetranaphthalen-1-yl-6,12,21,27-tetrazaheptacyclo[26.2.2.22,5.213,16.217,20.17,11.122,26]tetraconta-1(31),2(40),3,5(39),7(38),8,10,13,15,17(35),18,20(34),22,24,26(33),28(32),29,36-octadecaene
• PubChem CID: 20740992
• Molecular Formula: C76H52N4
• Molecular Weight: 1021.28 g/mol
• Exact Mass: 1020.42
• IUPAC Name: 6,12,21,27-tetranaphthalen-1-yl-6,12,21,27-tetrazaheptacyclo[26.2.2.22,5.213,16.217,20.17,11.122,26]tetraconta-1(31),2(40),3,5(39),7(38),8,10,13,15,17(35),18,20(34),22,24,26(33),28(32),29,36-octadecaene
• SMILES: c1ccc2c(-n3c4ccc(cc4)c4ccc(cc4)n(-c4cccc5ccccc45)c4cccc(c4)n(-c4cccc5ccccc45)c4ccc(cc4)c4ccc(cc4)n(-c4cccc5ccccc45)c4cccc3c4)cccc2c1
• InChI: InChI=1S/C76H52N4/c1-5-27-69-57(15-1)19-9-31-73(69)77-61-43-35-53(36-44-61)54-37-47-63(48-38-54)79(75-33-11-21-59-17-3-7-29-71(59)75)67-25-14-26-68(52-67)80(76-34-12-22-60-18-4-8-30-72(60)76)64-49-41-56(42-50-64)55-39-45-62(46-40-55)78(66-24-13-23-65(77)51-66)74-32-10-20-58-16-2-6-28-70(58)74/h1-52H
• InChIKey: FQCWMTXNNSMJTC-UHFFFAOYSA-N
• XLogP: 20.32
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1021.28
LogP ≤ 5	20.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6,12,21,27-tetranaphthalen-1-yl-6,12,21,27-tetrazaheptacyclo[26.2.2.22,5.213,16.217,20.17,11.122,26]tetraconta-1(31),2(40),3,5(39),7(38),8,10,13,15,17(35),18,20(34),22,24,26(33),28(32),29,36-octadecaene?

The IUPAC name of 6,12,21,27-tetranaphthalen-1-yl-6,12,21,27-tetrazaheptacyclo[26.2.2.22,5.213,16.217,20.17,11.122,26]tetraconta-1(31),2(40),3,5(39),7(38),8,10,13,15,17(35),18,20(34),22,24,26(33),28(32),29,36-octadecaene (CID 20740992) is 6,12,21,27-tetranaphthalen-1-yl-6,12,21,27-tetrazaheptacyclo[26.2.2.22,5.213,16.217,20.17,11.122,26]tetraconta-1(31),2(40),3,5(39),7(38),8,10,13,15,17(35),18,20(34),22,24,26(33),28(32),29,36-octadecaene.

What is the SMILES notation for 6,12,21,27-tetranaphthalen-1-yl-6,12,21,27-tetrazaheptacyclo[26.2.2.22,5.213,16.217,20.17,11.122,26]tetraconta-1(31),2(40),3,5(39),7(38),8,10,13,15,17(35),18,20(34),22,24,26(33),28(32),29,36-octadecaene?

The canonical SMILES for 6,12,21,27-tetranaphthalen-1-yl-6,12,21,27-tetrazaheptacyclo[26.2.2.22,5.213,16.217,20.17,11.122,26]tetraconta-1(31),2(40),3,5(39),7(38),8,10,13,15,17(35),18,20(34),22,24,26(33),28(32),29,36-octadecaene is c1ccc2c(-n3c4ccc(cc4)c4ccc(cc4)n(-c4cccc5ccccc45)c4cccc(c4)n(-c4cccc5ccccc45)c4ccc(cc4)c4ccc(cc4)n(-c4cccc5ccccc45)c4cccc3c4)cccc2c1.

What is the InChIKey of 6,12,21,27-tetranaphthalen-1-yl-6,12,21,27-tetrazaheptacyclo[26.2.2.22,5.213,16.217,20.17,11.122,26]tetraconta-1(31),2(40),3,5(39),7(38),8,10,13,15,17(35),18,20(34),22,24,26(33),28(32),29,36-octadecaene?

The InChIKey is FQCWMTXNNSMJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H52N4/c1-5-27-69-57(15-1)19-9-31-73(69)77-61-43-35-53(36-44-61)54-37-47-63(48-38-54)79(75-33-11-21-59-17-3-7-29-71(59)75)67-25-14-26-68(52-67)80(76-34-12-22-60-18-4-8-30-72(60)76)64-49-41-56(42-50-64)55-39-45-62(46-40-55)78(66-24-13-23-65(77)51-66)74-32-10-20-58-16-2-6-28-70(58)74/h1-52H.

What are the key properties of 6,12,21,27-tetranaphthalen-1-yl-6,12,21,27-tetrazaheptacyclo[26.2.2.22,5.213,16.217,20.17,11.122,26]tetraconta-1(31),2(40),3,5(39),7(38),8,10,13,15,17(35),18,20(34),22,24,26(33),28(32),29,36-octadecaene?

6,12,21,27-tetranaphthalen-1-yl-6,12,21,27-tetrazaheptacyclo[26.2.2.22,5.213,16.217,20.17,11.122,26]tetraconta-1(31),2(40),3,5(39),7(38),8,10,13,15,17(35),18,20(34),22,24,26(33),28(32),29,36-octadecaene has a molecular weight of 1021.28 g/mol, XLogP of 20.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6,12,21,27-tetranaphthalen-1-yl-6,12,21,27-tetrazaheptacyclo[26.2.2.22,5.213,16.217,20.17,11.122,26]tetraconta-1(31),2(40),3,5(39),7(38),8,10,13,15,17(35),18,20(34),22,24,26(33),28(32),29,36-octadecaene is sourced from PubChem (CID 20740992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).