2-[1-(2,6-dimethylphenyl)-4-[3-[2-[3,5-di(propan-2-yl)phenyl]-6-phenylphenyl]phenyl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol

C58H51N3O — CID 171734335

About 2-[1-(2,6-dimethylphenyl)-4-[3-[2-[3,5-di(propan-2-yl)phenyl]-6-phenylphenyl]phenyl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol

2-[1-(2,6-dimethylphenyl)-4-[3-[2-[3,5-di(propan-2-yl)phenyl]-6-phenylphenyl]phenyl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol (PubChem CID 171734335) has the molecular formula C58H51N3O and a molecular weight of 806.07 g/mol. Its IUPAC name is 2-[1-(2,6-dimethylphenyl)-4-[3-[2-[3,5-di(propan-2-yl)phenyl]-6-phenylphenyl]phenyl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol.

Molecular Properties

• Compound Name: 2-[1-(2,6-dimethylphenyl)-4-[3-[2-[3,5-di(propan-2-yl)phenyl]-6-phenylphenyl]phenyl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
• PubChem CID: 171734335
• Molecular Formula: C58H51N3O
• Molecular Weight: 806.07 g/mol
• Exact Mass: 805.40
• IUPAC Name: 2-[1-(2,6-dimethylphenyl)-4-[3-[2-[3,5-di(propan-2-yl)phenyl]-6-phenylphenyl]phenyl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
• SMILES: Cc1cccc(C)c1-n1c(-c2ccc3c(n2)-c2c(O)cccc2CC3)nc2c(-c3cccc(-c4c(-c5ccccc5)cccc4-c4cc(C(C)C)cc(C(C)C)c4)c3)cccc21
• InChI: InChI=1S/C58H51N3O/c1-35(2)44-32-45(36(3)4)34-46(33-44)48-23-13-22-47(39-17-8-7-9-18-39)53(48)43-21-11-20-42(31-43)49-24-14-25-51-56(49)60-58(61(51)57-37(5)15-10-16-38(57)6)50-30-29-41-28-27-40-19-12-26-52(62)54(40)55(41)59-50/h7-26,29-36,62H,27-28H2,1-6H3
• InChIKey: MMXHFJACWISJJO-UHFFFAOYSA-N
• XLogP: 15.09
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.07
LogP ≤ 5	15.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethylphenyl)-4-[3-[2-[3,5-di(propan-2-yl)phenyl]-6-phenylphenyl]phenyl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?

The IUPAC name of 2-[1-(2,6-dimethylphenyl)-4-[3-[2-[3,5-di(propan-2-yl)phenyl]-6-phenylphenyl]phenyl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol (CID 171734335) is 2-[1-(2,6-dimethylphenyl)-4-[3-[2-[3,5-di(propan-2-yl)phenyl]-6-phenylphenyl]phenyl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol.

What is the SMILES notation for 2-[1-(2,6-dimethylphenyl)-4-[3-[2-[3,5-di(propan-2-yl)phenyl]-6-phenylphenyl]phenyl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?

The canonical SMILES for 2-[1-(2,6-dimethylphenyl)-4-[3-[2-[3,5-di(propan-2-yl)phenyl]-6-phenylphenyl]phenyl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol is Cc1cccc(C)c1-n1c(-c2ccc3c(n2)-c2c(O)cccc2CC3)nc2c(-c3cccc(-c4c(-c5ccccc5)cccc4-c4cc(C(C)C)cc(C(C)C)c4)c3)cccc21.

What is the InChIKey of 2-[1-(2,6-dimethylphenyl)-4-[3-[2-[3,5-di(propan-2-yl)phenyl]-6-phenylphenyl]phenyl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?

The InChIKey is MMXHFJACWISJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H51N3O/c1-35(2)44-32-45(36(3)4)34-46(33-44)48-23-13-22-47(39-17-8-7-9-18-39)53(48)43-21-11-20-42(31-43)49-24-14-25-51-56(49)60-58(61(51)57-37(5)15-10-16-38(57)6)50-30-29-41-28-27-40-19-12-26-52(62)54(40)55(41)59-50/h7-26,29-36,62H,27-28H2,1-6H3.

What are the key properties of 2-[1-(2,6-dimethylphenyl)-4-[3-[2-[3,5-di(propan-2-yl)phenyl]-6-phenylphenyl]phenyl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?

2-[1-(2,6-dimethylphenyl)-4-[3-[2-[3,5-di(propan-2-yl)phenyl]-6-phenylphenyl]phenyl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol has a molecular weight of 806.07 g/mol, XLogP of 15.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2,6-dimethylphenyl)-4-[3-[2-[3,5-di(propan-2-yl)phenyl]-6-phenylphenyl]phenyl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol is sourced from PubChem (CID 171734335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).