5-[3-[4-[5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)-3-phenylphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole

C58H54N4O — CID 70882570

About 5-[3-[4-[5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)-3-phenylphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole

5-[3-[4-[5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)-3-phenylphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (PubChem CID 70882570) has the molecular formula C58H54N4O and a molecular weight of 823.10 g/mol. Its IUPAC name is 5-[3-[4-[5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)-3-phenylphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole.

Molecular Properties

• Compound Name: 5-[3-[4-[5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)-3-phenylphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
• PubChem CID: 70882570
• Molecular Formula: C58H54N4O
• Molecular Weight: 823.10 g/mol
• Exact Mass: 822.43
• IUPAC Name: 5-[3-[4-[5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)-3-phenylphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
• SMILES: CCC(C)(CC)Oc1c(-c2ccccc2)cc(C(C)(CC)CC)cc1-c1ccc(-c2cc(-n3c4ccccc4c4ncccc43)cc(-n3c4ccccc4c4ncccc43)c2)cc1
• InChI: InChI=1S/C58H54N4O/c1-7-57(5,8-2)43-36-48(40-20-12-11-13-21-40)56(63-58(6,9-3)10-4)49(37-43)41-30-28-39(29-31-41)42-34-44(61-50-24-16-14-22-46(50)54-52(61)26-18-32-59-54)38-45(35-42)62-51-25-17-15-23-47(51)55-53(62)27-19-33-60-55/h11-38H,7-10H2,1-6H3
• InChIKey: JMQACUQVUWKJLK-UHFFFAOYSA-N
• XLogP: 15.71
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.10
LogP ≤ 5	15.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)-3-phenylphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?

The IUPAC name of 5-[3-[4-[5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)-3-phenylphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (CID 70882570) is 5-[3-[4-[5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)-3-phenylphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole.

What is the SMILES notation for 5-[3-[4-[5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)-3-phenylphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?

The canonical SMILES for 5-[3-[4-[5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)-3-phenylphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is CCC(C)(CC)Oc1c(-c2ccccc2)cc(C(C)(CC)CC)cc1-c1ccc(-c2cc(-n3c4ccccc4c4ncccc43)cc(-n3c4ccccc4c4ncccc43)c2)cc1.

What is the InChIKey of 5-[3-[4-[5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)-3-phenylphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?

The InChIKey is JMQACUQVUWKJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H54N4O/c1-7-57(5,8-2)43-36-48(40-20-12-11-13-21-40)56(63-58(6,9-3)10-4)49(37-43)41-30-28-39(29-31-41)42-34-44(61-50-24-16-14-22-46(50)54-52(61)26-18-32-59-54)38-45(35-42)62-51-25-17-15-23-47(51)55-53(62)27-19-33-60-55/h11-38H,7-10H2,1-6H3.

What are the key properties of 5-[3-[4-[5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)-3-phenylphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?

5-[3-[4-[5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)-3-phenylphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole has a molecular weight of 823.10 g/mol, XLogP of 15.71, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-[5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)-3-phenylphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 70882570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).