2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole

C65H52N4O — CID 168780267

About 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole

2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole (PubChem CID 168780267) has the molecular formula C65H52N4O and a molecular weight of 905.16 g/mol. Its IUPAC name is 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole
• PubChem CID: 168780267
• Molecular Formula: C65H52N4O
• Molecular Weight: 905.16 g/mol
• Exact Mass: 904.41
• IUPAC Name: 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole
• SMILES: Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3ccc(Oc4cccc(N5CN(c6c(-c7ccccc7)cccc6-c6ccc(C(C)(C)C)cc6)c6ccccc65)c4)cc32)ncc1-c1ccccc1
• InChI: InChI=1S/C65H52N4O/c1-44-38-63(66-42-58(44)47-22-12-7-13-23-47)69-59-37-32-49(45-18-8-5-9-19-45)39-57(59)56-36-35-53(41-62(56)69)70-52-25-16-24-51(40-52)67-43-68(61-29-15-14-28-60(61)67)64-54(46-20-10-6-11-21-46)26-17-27-55(64)48-30-33-50(34-31-48)65(2,3)4/h5-42H,43H2,1-4H3
• InChIKey: WVFTZFPODBWWKF-UHFFFAOYSA-N
• XLogP: 17.49
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.16
LogP ≤ 5	17.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole?

The IUPAC name of 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole (CID 168780267) is 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole.

What is the SMILES notation for 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole?

The canonical SMILES for 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole is Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3ccc(Oc4cccc(N5CN(c6c(-c7ccccc7)cccc6-c6ccc(C(C)(C)C)cc6)c6ccccc65)c4)cc32)ncc1-c1ccccc1.

What is the InChIKey of 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole?

The InChIKey is WVFTZFPODBWWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H52N4O/c1-44-38-63(66-42-58(44)47-22-12-7-13-23-47)69-59-37-32-49(45-18-8-5-9-19-45)39-57(59)56-36-35-53(41-62(56)69)70-52-25-16-24-51(40-52)67-43-68(61-29-15-14-28-60(61)67)64-54(46-20-10-6-11-21-46)26-17-27-55(64)48-30-33-50(34-31-48)65(2,3)4/h5-42H,43H2,1-4H3.

What are the key properties of 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole?

2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole has a molecular weight of 905.16 g/mol, XLogP of 17.49, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole is sourced from PubChem (CID 168780267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).