[3-tert-butyl-5-[22-[5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-3-pyridinyl]-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-dodecaen-18-yl]phenyl]-triphenylgermane

C79H65GeN5O — CID 177075284

About [3-tert-butyl-5-[22-[5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-3-pyridinyl]-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-dodecaen-18-yl]phenyl]-triphenylgermane

[3-tert-butyl-5-[22-[5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-3-pyridinyl]-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-dodecaen-18-yl]phenyl]-triphenylgermane (PubChem CID 177075284) has the molecular formula C79H65GeN5O and a molecular weight of 1173.03 g/mol. Its IUPAC name is [3-tert-butyl-5-[22-[5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-3-pyridinyl]-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-dodecaen-18-yl]phenyl]-triphenylgermane.

Molecular Properties

• Compound Name: [3-tert-butyl-5-[22-[5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-3-pyridinyl]-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-dodecaen-18-yl]phenyl]-triphenylgermane
• PubChem CID: 177075284
• Molecular Formula: C79H65GeN5O
• Molecular Weight: 1173.03 g/mol
• Exact Mass: 1173.44
• IUPAC Name: [3-tert-butyl-5-[22-[5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-3-pyridinyl]-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-dodecaen-18-yl]phenyl]-triphenylgermane
• SMILES: CC(C)(C)c1cc(-c2cccc3c4ccccc4c4ccccc4c4cccc5c4n(c23)CN5c2cncc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)cc([Ge](c2ccccc2)(c2ccccc2)c2ccccc2)c1
• InChI: InChI=1S/C79H65GeN5O/c1-78(2,3)54-42-43-82-75(47-54)85-72-38-21-20-34-68(72)69-41-40-61(49-74(69)85)86-62-48-60(50-81-51-62)83-52-84-76-63(35-22-36-70(76)66-32-18-16-30-64(66)65-31-17-19-33-67(65)71-37-23-39-73(83)77(71)84)53-44-55(79(4,5)6)46-59(45-53)80(56-24-10-7-11-25-56,57-26-12-8-13-27-57)58-28-14-9-15-29-58/h7-51H,52H2,1-6H3
• InChIKey: KFYAJXKOIVFNDW-UHFFFAOYSA-N
• XLogP: 17.65
• TPSA: 48.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1173.03
LogP ≤ 5	17.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-5-[22-[5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-3-pyridinyl]-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-dodecaen-18-yl]phenyl]-triphenylgermane?

The IUPAC name of [3-tert-butyl-5-[22-[5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-3-pyridinyl]-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-dodecaen-18-yl]phenyl]-triphenylgermane (CID 177075284) is [3-tert-butyl-5-[22-[5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-3-pyridinyl]-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-dodecaen-18-yl]phenyl]-triphenylgermane.

What is the SMILES notation for [3-tert-butyl-5-[22-[5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-3-pyridinyl]-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-dodecaen-18-yl]phenyl]-triphenylgermane?

The canonical SMILES for [3-tert-butyl-5-[22-[5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-3-pyridinyl]-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-dodecaen-18-yl]phenyl]-triphenylgermane is CC(C)(C)c1cc(-c2cccc3c4ccccc4c4ccccc4c4cccc5c4n(c23)CN5c2cncc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)cc([Ge](c2ccccc2)(c2ccccc2)c2ccccc2)c1.

What is the InChIKey of [3-tert-butyl-5-[22-[5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-3-pyridinyl]-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-dodecaen-18-yl]phenyl]-triphenylgermane?

The InChIKey is KFYAJXKOIVFNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H65GeN5O/c1-78(2,3)54-42-43-82-75(47-54)85-72-38-21-20-34-68(72)69-41-40-61(49-74(69)85)86-62-48-60(50-81-51-62)83-52-84-76-63(35-22-36-70(76)66-32-18-16-30-64(66)65-31-17-19-33-67(65)71-37-23-39-73(83)77(71)84)53-44-55(79(4,5)6)46-59(45-53)80(56-24-10-7-11-25-56,57-26-12-8-13-27-57)58-28-14-9-15-29-58/h7-51H,52H2,1-6H3.

What are the key properties of [3-tert-butyl-5-[22-[5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-3-pyridinyl]-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-dodecaen-18-yl]phenyl]-triphenylgermane?

[3-tert-butyl-5-[22-[5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-3-pyridinyl]-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-dodecaen-18-yl]phenyl]-triphenylgermane has a molecular weight of 1173.03 g/mol, XLogP of 17.65, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-tert-butyl-5-[22-[5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-3-pyridinyl]-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-dodecaen-18-yl]phenyl]-triphenylgermane is sourced from PubChem (CID 177075284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).