1-bromo-16-(16-bromo-3,6,11,14-tetratert-butyltetraphenylen-1-yl)-3,6,11,14-tetratert-butyltetraphenylene

C80H92Br2 — CID 137295359

About 1-bromo-16-(16-bromo-3,6,11,14-tetratert-butyltetraphenylen-1-yl)-3,6,11,14-tetratert-butyltetraphenylene

1-bromo-16-(16-bromo-3,6,11,14-tetratert-butyltetraphenylen-1-yl)-3,6,11,14-tetratert-butyltetraphenylene (PubChem CID 137295359) has the molecular formula C80H92Br2 and a molecular weight of 1213.42 g/mol. Its IUPAC name is 1-bromo-16-(16-bromo-3,6,11,14-tetratert-butyltetraphenylen-1-yl)-3,6,11,14-tetratert-butyltetraphenylene.

Molecular Properties

• Compound Name: 1-bromo-16-(16-bromo-3,6,11,14-tetratert-butyltetraphenylen-1-yl)-3,6,11,14-tetratert-butyltetraphenylene
• PubChem CID: 137295359
• Molecular Formula: C80H92Br2
• Molecular Weight: 1213.42 g/mol
• Exact Mass: 1210.56
• IUPAC Name: 1-bromo-16-(16-bromo-3,6,11,14-tetratert-butyltetraphenylen-1-yl)-3,6,11,14-tetratert-butyltetraphenylene
• SMILES: CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)cc(Br)c1-c1c(cc(C(C)(C)C)cc1-c1cc(C(C)(C)C)cc3c1-c1c(Br)cc(C(C)(C)C)cc1-c1cc(C(C)(C)C)ccc1-c1ccc(C(C)(C)C)cc1-3)-c1cc(C(C)(C)C)ccc1-2
• InChI: InChI=1S/C80H92Br2/c1-73(2,3)45-25-29-53-55-31-27-47(75(7,8)9)35-59(55)63-41-51(79(19,20)21)43-67(81)71(63)69-61(57(53)33-45)37-49(77(13,14)15)39-65(69)66-40-50(78(16,17)18)38-62-58-34-46(74(4,5)6)26-30-54(58)56-32-28-48(76(10,11)12)36-60(56)64-42-52(80(22,23)24)44-68(82)72(64)70(62)66/h25-44H,1-24H3/b55-53-,56-54-,61-57-,62-58-,63-59-,64-60-,71-69-,72-70-
• InChIKey: JZJMCJZXKRJCGP-WDKKQQTQSA-N
• XLogP: 25.22
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1213.42
LogP ≤ 5	25.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-bromo-16-(16-bromo-3,6,11,14-tetratert-butyltetraphenylen-1-yl)-3,6,11,14-tetratert-butyltetraphenylene?

The IUPAC name of 1-bromo-16-(16-bromo-3,6,11,14-tetratert-butyltetraphenylen-1-yl)-3,6,11,14-tetratert-butyltetraphenylene (CID 137295359) is 1-bromo-16-(16-bromo-3,6,11,14-tetratert-butyltetraphenylen-1-yl)-3,6,11,14-tetratert-butyltetraphenylene.

What is the SMILES notation for 1-bromo-16-(16-bromo-3,6,11,14-tetratert-butyltetraphenylen-1-yl)-3,6,11,14-tetratert-butyltetraphenylene?

The canonical SMILES for 1-bromo-16-(16-bromo-3,6,11,14-tetratert-butyltetraphenylen-1-yl)-3,6,11,14-tetratert-butyltetraphenylene is CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)cc(Br)c1-c1c(cc(C(C)(C)C)cc1-c1cc(C(C)(C)C)cc3c1-c1c(Br)cc(C(C)(C)C)cc1-c1cc(C(C)(C)C)ccc1-c1ccc(C(C)(C)C)cc1-3)-c1cc(C(C)(C)C)ccc1-2.

What is the InChIKey of 1-bromo-16-(16-bromo-3,6,11,14-tetratert-butyltetraphenylen-1-yl)-3,6,11,14-tetratert-butyltetraphenylene?

The InChIKey is JZJMCJZXKRJCGP-WDKKQQTQSA-N. The full InChI is InChI=1S/C80H92Br2/c1-73(2,3)45-25-29-53-55-31-27-47(75(7,8)9)35-59(55)63-41-51(79(19,20)21)43-67(81)71(63)69-61(57(53)33-45)37-49(77(13,14)15)39-65(69)66-40-50(78(16,17)18)38-62-58-34-46(74(4,5)6)26-30-54(58)56-32-28-48(76(10,11)12)36-60(56)64-42-52(80(22,23)24)44-68(82)72(64)70(62)66/h25-44H,1-24H3/b55-53-,56-54-,61-57-,62-58-,63-59-,64-60-,71-69-,72-70-.

What are the key properties of 1-bromo-16-(16-bromo-3,6,11,14-tetratert-butyltetraphenylen-1-yl)-3,6,11,14-tetratert-butyltetraphenylene?

1-bromo-16-(16-bromo-3,6,11,14-tetratert-butyltetraphenylen-1-yl)-3,6,11,14-tetratert-butyltetraphenylene has a molecular weight of 1213.42 g/mol, XLogP of 25.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-16-(16-bromo-3,6,11,14-tetratert-butyltetraphenylen-1-yl)-3,6,11,14-tetratert-butyltetraphenylene is sourced from PubChem (CID 137295359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).