[4-[3-tert-butyl-5-[22-[3-[9-(4-tert-butyl-2-pyridinyl)-4-carbazol-9-ylcarbazol-2-yl]oxyphenyl]-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]phenyl]-triphenylgermane

C98H77GeN5O — CID 177075603

About [4-[3-tert-butyl-5-[22-[3-[9-(4-tert-butyl-2-pyridinyl)-4-carbazol-9-ylcarbazol-2-yl]oxyphenyl]-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]phenyl]-triphenylgermane

[4-[3-tert-butyl-5-[22-[3-[9-(4-tert-butyl-2-pyridinyl)-4-carbazol-9-ylcarbazol-2-yl]oxyphenyl]-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]phenyl]-triphenylgermane (PubChem CID 177075603) has the molecular formula C98H77GeN5O and a molecular weight of 1413.34 g/mol. Its IUPAC name is [4-[3-tert-butyl-5-[22-[3-[9-(4-tert-butyl-2-pyridinyl)-4-carbazol-9-ylcarbazol-2-yl]oxyphenyl]-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]phenyl]-triphenylgermane.

Molecular Properties

• Compound Name: [4-[3-tert-butyl-5-[22-[3-[9-(4-tert-butyl-2-pyridinyl)-4-carbazol-9-ylcarbazol-2-yl]oxyphenyl]-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]phenyl]-triphenylgermane
• PubChem CID: 177075603
• Molecular Formula: C98H77GeN5O
• Molecular Weight: 1413.34 g/mol
• Exact Mass: 1413.53
• IUPAC Name: [4-[3-tert-butyl-5-[22-[3-[9-(4-tert-butyl-2-pyridinyl)-4-carbazol-9-ylcarbazol-2-yl]oxyphenyl]-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]phenyl]-triphenylgermane
• SMILES: CC(C)(C)c1cc(-c2ccc([Ge](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc(-c2cccc3c4ccccc4c4ccccc4c4cccc5c4n(c23)CN5c2cccc(Oc3cc(-n4c5ccccc5c5ccccc54)c4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c1
• InChI: InChI=1S/C98H77GeN5O/c1-97(2,3)68-55-56-100-93(60-68)104-89-49-25-22-43-86(89)94-91(103-87-47-23-20-41-82(87)83-42-21-24-48-88(83)103)62-76(63-92(94)104)105-75-36-26-35-74(61-75)101-64-102-95-77(44-27-45-84(95)80-39-18-16-37-78(80)79-38-17-19-40-81(79)85-46-28-50-90(101)96(85)102)67-57-66(58-69(59-67)98(4,5)6)65-51-53-73(54-52-65)99(70-29-10-7-11-30-70,71-31-12-8-13-32-71)72-33-14-9-15-34-72/h7-63H,64H2,1-6H3
• InChIKey: CGPCZBDMJYOWPS-UHFFFAOYSA-N
• XLogP: 23.02
• TPSA: 40.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1413.34
LogP ≤ 5	23.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [4-[3-tert-butyl-5-[22-[3-[9-(4-tert-butyl-2-pyridinyl)-4-carbazol-9-ylcarbazol-2-yl]oxyphenyl]-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]phenyl]-triphenylgermane (CID 177075603) is [4-[3-tert-butyl-5-[22-[3-[9-(4-tert-butyl-2-pyridinyl)-4-carbazol-9-ylcarbazol-2-yl]oxyphenyl]-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]phenyl]-triphenylgermane.

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

The canonical SMILES for [4-[3-tert-butyl-5-[22-[3-[9-(4-tert-butyl-2-pyridinyl)-4-carbazol-9-ylcarbazol-2-yl]oxyphenyl]-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]phenyl]-triphenylgermane is CC(C)(C)c1cc(-c2ccc([Ge](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc(-c2cccc3c4ccccc4c4ccccc4c4cccc5c4n(c23)CN5c2cccc(Oc3cc(-n4c5ccccc5c5ccccc54)c4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c1.

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

The InChIKey is CGPCZBDMJYOWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H77GeN5O/c1-97(2,3)68-55-56-100-93(60-68)104-89-49-25-22-43-86(89)94-91(103-87-47-23-20-41-82(87)83-42-21-24-48-88(83)103)62-76(63-92(94)104)105-75-36-26-35-74(61-75)101-64-102-95-77(44-27-45-84(95)80-39-18-16-37-78(80)79-38-17-19-40-81(79)85-46-28-50-90(101)96(85)102)67-57-66(58-69(59-67)98(4,5)6)65-51-53-73(54-52-65)99(70-29-10-7-11-30-70,71-31-12-8-13-32-71)72-33-14-9-15-34-72/h7-63H,64H2,1-6H3.

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

[4-[3-tert-butyl-5-[22-[3-[9-(4-tert-butyl-2-pyridinyl)-4-carbazol-9-ylcarbazol-2-yl]oxyphenyl]-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]phenyl]-triphenylgermane has a molecular weight of 1413.34 g/mol, XLogP of 23.02, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-tert-butyl-5-[22-[3-[9-(4-tert-butyl-2-pyridinyl)-4-carbazol-9-ylcarbazol-2-yl]oxyphenyl]-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]phenyl]-triphenylgermane is sourced from PubChem (CID 177075603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).