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

C72H66N4O — CID 168780514

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

9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole (PubChem CID 168780514) has the molecular formula C72H66N4O and a molecular weight of 1003.35 g/mol. Its IUPAC name is 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole.

Molecular Properties

• Compound Name: 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
• PubChem CID: 168780514
• Molecular Formula: C72H66N4O
• Molecular Weight: 1003.35 g/mol
• Exact Mass: 1002.52
• IUPAC Name: 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
• SMILES: CC(C)(C)c1ccc(-c2cnc(-n3c4ccc(-c5ccccc5)cc4c4ccc(Oc5cccc(N6CN(c7c(-c8ccccc8)cccc7-c7ccc(C(C)(C)C)cc7)c7ccccc76)c5)cc43)cc2C(C)(C)C)cc1
• InChI: InChI=1S/C72H66N4O/c1-70(2,3)53-35-30-50(31-36-53)59-27-19-26-58(49-22-14-11-15-23-49)69(59)75-47-74(65-28-16-17-29-66(65)75)55-24-18-25-56(43-55)77-57-39-40-60-61-42-52(48-20-12-10-13-21-48)34-41-64(61)76(67(60)44-57)68-45-63(72(7,8)9)62(46-73-68)51-32-37-54(38-33-51)71(4,5)6/h10-46H,47H2,1-9H3
• InChIKey: MPNVKFZOAUMTMA-UHFFFAOYSA-N
• XLogP: 19.78
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.35
LogP ≤ 5	19.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole (CID 168780514) is 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole.

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

The canonical SMILES for 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole is CC(C)(C)c1ccc(-c2cnc(-n3c4ccc(-c5ccccc5)cc4c4ccc(Oc5cccc(N6CN(c7c(-c8ccccc8)cccc7-c7ccc(C(C)(C)C)cc7)c7ccccc76)c5)cc43)cc2C(C)(C)C)cc1.

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

The InChIKey is MPNVKFZOAUMTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H66N4O/c1-70(2,3)53-35-30-50(31-36-53)59-27-19-26-58(49-22-14-11-15-23-49)69(59)75-47-74(65-28-16-17-29-66(65)75)55-24-18-25-56(43-55)77-57-39-40-60-61-42-52(48-20-12-10-13-21-48)34-41-64(61)76(67(60)44-57)68-45-63(72(7,8)9)62(46-73-68)51-32-37-54(38-33-51)71(4,5)6/h10-46H,47H2,1-9H3.

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

9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole has a molecular weight of 1003.35 g/mol, XLogP of 19.78, 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-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole is sourced from PubChem (CID 168780514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).