6-[3-[3-[8-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole

C64H56N6O — CID 166006665

About 6-[3-[3-[8-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole

6-[3-[3-[8-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole (PubChem CID 166006665) has the molecular formula C64H56N6O and a molecular weight of 931.23 g/mol. Its IUPAC name is 6-[3-[3-[8-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 6-[3-[3-[8-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole
• PubChem CID: 166006665
• Molecular Formula: C64H56N6O
• Molecular Weight: 931.23 g/mol
• Exact Mass: 930.49
• IUPAC Name: 6-[3-[3-[8-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole
• SMILES: [2H]C([2H])([2H])n1c2ccccc2c2c(-c3ccccc3)c3c4ccccc4n(C([2H])([2H])[2H])c3c(N3CN(c4cccc(Oc5ccc6c7cccc(C(C)(C)C)c7n(-c7cc(C(C)(C)C)ccn7)c6c5)c4)c4ccccc43)c21
• InChI: InChI=1S/C64H56N6O/c1-63(2,3)41-34-35-65-55(36-41)70-54-38-44(32-33-45(54)46-26-19-27-49(59(46)70)64(4,5)6)71-43-23-18-22-42(37-43)68-39-69(53-31-17-16-30-52(53)68)62-60-57(47-24-12-14-28-50(47)66(60)7)56(40-20-10-9-11-21-40)58-48-25-13-15-29-51(48)67(8)61(58)62/h9-38H,39H2,1-8H3/i7D3,8D3
• InChIKey: UMCNGBVJNKFSIE-FDSUUMENSA-N
• XLogP: 16.77
• TPSA: 43.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	931.23
LogP ≤ 5	16.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-[8-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole?

The IUPAC name of 6-[3-[3-[8-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole (CID 166006665) is 6-[3-[3-[8-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole.

What is the SMILES notation for 6-[3-[3-[8-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole?

The canonical SMILES for 6-[3-[3-[8-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole is [2H]C([2H])([2H])n1c2ccccc2c2c(-c3ccccc3)c3c4ccccc4n(C([2H])([2H])[2H])c3c(N3CN(c4cccc(Oc5ccc6c7cccc(C(C)(C)C)c7n(-c7cc(C(C)(C)C)ccn7)c6c5)c4)c4ccccc43)c21.

What is the InChIKey of 6-[3-[3-[8-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole?

The InChIKey is UMCNGBVJNKFSIE-FDSUUMENSA-N. The full InChI is InChI=1S/C64H56N6O/c1-63(2,3)41-34-35-65-55(36-41)70-54-38-44(32-33-45(54)46-26-19-27-49(59(46)70)64(4,5)6)71-43-23-18-22-42(37-43)68-39-69(53-31-17-16-30-52(53)68)62-60-57(47-24-12-14-28-50(47)66(60)7)56(40-20-10-9-11-21-40)58-48-25-13-15-29-51(48)67(8)61(58)62/h9-38H,39H2,1-8H3/i7D3,8D3.

What are the key properties of 6-[3-[3-[8-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole?

6-[3-[3-[8-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole has a molecular weight of 931.23 g/mol, XLogP of 16.77, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[3-[8-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole is sourced from PubChem (CID 166006665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).