22-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-18-[3-tert-butyl-5-(1,1-dideuterio-2-methylpropyl)phenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14(19),15,17,23,25-dodecaene

C70H68N4O — CID 177075210

About 22-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-18-[3-tert-butyl-5-(1,1-dideuterio-2-methylpropyl)phenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14(19),15,17,23,25-dodecaene

22-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-18-[3-tert-butyl-5-(1,1-dideuterio-2-methylpropyl)phenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14(19),15,17,23,25-dodecaene (PubChem CID 177075210) has the molecular formula C70H68N4O and a molecular weight of 983.35 g/mol. Its IUPAC name is 22-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-18-[3-tert-butyl-5-(1,1-dideuterio-2-methylpropyl)phenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14(19),15,17,23,25-dodecaene.

Molecular Properties

• Compound Name: 22-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-18-[3-tert-butyl-5-(1,1-dideuterio-2-methylpropyl)phenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14(19),15,17,23,25-dodecaene
• PubChem CID: 177075210
• Molecular Formula: C70H68N4O
• Molecular Weight: 983.35 g/mol
• Exact Mass: 982.55
• IUPAC Name: 22-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-18-[3-tert-butyl-5-(1,1-dideuterio-2-methylpropyl)phenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14(19),15,17,23,25-dodecaene
• SMILES: [2H]C([2H])(c1cc(-c2cccc3c4ccccc4c4ccccc4c4cccc5c4n(c23)CN5c2cccc(Oc3ccc4c5cc(C(C)(C)C)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)cc(C(C)(C)C)c1)C(C)C
• InChI: InChI=1S/C70H68N4O/c1-44(2)35-45-36-46(38-49(37-45)70(9,10)11)53-25-17-26-59-56-23-14-12-21-54(56)55-22-13-15-24-57(55)60-27-18-28-63-67(60)73(66(53)59)43-72(63)50-19-16-20-51(41-50)75-52-30-31-58-61-39-47(68(3,4)5)29-32-62(61)74(64(58)42-52)65-40-48(33-34-71-65)69(6,7)8/h12-34,36-42,44H,35,43H2,1-11H3/i35D2
• InChIKey: UUBONBUBFSCZEY-ZREVDOHUSA-N
• XLogP: 19.38
• TPSA: 35.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	983.35
LogP ≤ 5	19.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 22-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-18-[3-tert-butyl-5-(1,1-dideuterio-2-methylpropyl)phenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14(19),15,17,23,25-dodecaene?

The IUPAC name of 22-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-18-[3-tert-butyl-5-(1,1-dideuterio-2-methylpropyl)phenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14(19),15,17,23,25-dodecaene (CID 177075210) is 22-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-18-[3-tert-butyl-5-(1,1-dideuterio-2-methylpropyl)phenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14(19),15,17,23,25-dodecaene.

What is the SMILES notation for 22-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-18-[3-tert-butyl-5-(1,1-dideuterio-2-methylpropyl)phenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14(19),15,17,23,25-dodecaene?

The canonical SMILES for 22-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-18-[3-tert-butyl-5-(1,1-dideuterio-2-methylpropyl)phenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14(19),15,17,23,25-dodecaene is [2H]C([2H])(c1cc(-c2cccc3c4ccccc4c4ccccc4c4cccc5c4n(c23)CN5c2cccc(Oc3ccc4c5cc(C(C)(C)C)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)cc(C(C)(C)C)c1)C(C)C.

What is the InChIKey of 22-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-18-[3-tert-butyl-5-(1,1-dideuterio-2-methylpropyl)phenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14(19),15,17,23,25-dodecaene?

The InChIKey is UUBONBUBFSCZEY-ZREVDOHUSA-N. The full InChI is InChI=1S/C70H68N4O/c1-44(2)35-45-36-46(38-49(37-45)70(9,10)11)53-25-17-26-59-56-23-14-12-21-54(56)55-22-13-15-24-57(55)60-27-18-28-63-67(60)73(66(53)59)43-72(63)50-19-16-20-51(41-50)75-52-30-31-58-61-39-47(68(3,4)5)29-32-62(61)74(64(58)42-52)65-40-48(33-34-71-65)69(6,7)8/h12-34,36-42,44H,35,43H2,1-11H3/i35D2.

What are the key properties of 22-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-18-[3-tert-butyl-5-(1,1-dideuterio-2-methylpropyl)phenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14(19),15,17,23,25-dodecaene?

22-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-18-[3-tert-butyl-5-(1,1-dideuterio-2-methylpropyl)phenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14(19),15,17,23,25-dodecaene has a molecular weight of 983.35 g/mol, XLogP of 19.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 22-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-18-[3-tert-butyl-5-(1,1-dideuterio-2-methylpropyl)phenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14(19),15,17,23,25-dodecaene is sourced from PubChem (CID 177075210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).