9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,6-ditert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole

C83H78N4O — CID 172545914

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,6-ditert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,6-ditert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 172545914) has the molecular formula C83H78N4O and a molecular weight of 1147.56 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,6-ditert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,6-ditert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
• PubChem CID: 172545914
• Molecular Formula: C83H78N4O
• Molecular Weight: 1147.56 g/mol
• Exact Mass: 1146.62
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,6-ditert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
• SMILES: CC(C)(C)c1ccc(C2(c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(N4CN(c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccccc54)c3)c3ccc(C(C)(C)C)cc3-c3cc(C(C)(C)C)ccc32)cc1
• InChI: InChI=1S/C83H78N4O/c1-79(2,3)56-34-36-57(37-35-56)83(71-42-38-58(80(4,5)6)48-69(71)70-49-59(81(7,8)9)39-43-72(70)83)61-46-62(51-64(47-61)88-63-40-41-68-67-28-19-20-31-73(67)87(76(68)52-63)77-50-60(44-45-84-77)82(10,11)12)85-53-86(75-33-22-21-32-74(75)85)78-65(54-24-15-13-16-25-54)29-23-30-66(78)55-26-17-14-18-27-55/h13-52H,53H2,1-12H3
• InChIKey: BATPATZRJOLCMY-UHFFFAOYSA-N
• XLogP: 22.11
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1147.56
LogP ≤ 5	22.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,6-ditert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,6-ditert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 172545914) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,6-ditert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,6-ditert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,6-ditert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole is CC(C)(C)c1ccc(C2(c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(N4CN(c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccccc54)c3)c3ccc(C(C)(C)C)cc3-c3cc(C(C)(C)C)ccc32)cc1.

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,6-ditert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The InChIKey is BATPATZRJOLCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H78N4O/c1-79(2,3)56-34-36-57(37-35-56)83(71-42-38-58(80(4,5)6)48-69(71)70-49-59(81(7,8)9)39-43-72(70)83)61-46-62(51-64(47-61)88-63-40-41-68-67-28-19-20-31-73(67)87(76(68)52-63)77-50-60(44-45-84-77)82(10,11)12)85-53-86(75-33-22-21-32-74(75)85)78-65(54-24-15-13-16-25-54)29-23-30-66(78)55-26-17-14-18-27-55/h13-52H,53H2,1-12H3.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,6-ditert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,6-ditert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 1147.56 g/mol, XLogP of 22.11, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,6-ditert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 172545914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).