2-[3-[4-(2-tert-butylphenyl)-2,3-dihydroquinoxalin-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

C57H60N4O — CID 168805636

About 2-[3-[4-(2-tert-butylphenyl)-2,3-dihydroquinoxalin-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[3-[4-(2-tert-butylphenyl)-2,3-dihydroquinoxalin-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 168805636) has the molecular formula C57H60N4O and a molecular weight of 817.13 g/mol. Its IUPAC name is 2-[3-[4-(2-tert-butylphenyl)-2,3-dihydroquinoxalin-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[4-(2-tert-butylphenyl)-2,3-dihydroquinoxalin-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• PubChem CID: 168805636
• Molecular Formula: C57H60N4O
• Molecular Weight: 817.13 g/mol
• Exact Mass: 816.48
• IUPAC Name: 2-[3-[4-(2-tert-butylphenyl)-2,3-dihydroquinoxalin-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• SMILES: CC(C)c1cccc(C(C)C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CCN(c3ccccc3C(C)(C)C)c3ccccc32)c1
• InChI: InChI=1S/C57H60N4O/c1-37(2)44-19-17-20-45(38(3)4)55(44)39-32-41(59-30-31-60(52-25-16-15-24-51(52)59)50-23-14-12-21-48(50)57(8,9)10)35-43(33-39)62-42-26-27-47-46-18-11-13-22-49(46)61(53(47)36-42)54-34-40(28-29-58-54)56(5,6)7/h11-29,32-38H,30-31H2,1-10H3
• InChIKey: LRKGNVGXZFODRP-UHFFFAOYSA-N
• XLogP: 15.77
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.13
LogP ≤ 5	15.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-tert-butylphenyl)-2,3-dihydroquinoxalin-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The IUPAC name of 2-[3-[4-(2-tert-butylphenyl)-2,3-dihydroquinoxalin-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 168805636) is 2-[3-[4-(2-tert-butylphenyl)-2,3-dihydroquinoxalin-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

What is the SMILES notation for 2-[3-[4-(2-tert-butylphenyl)-2,3-dihydroquinoxalin-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The canonical SMILES for 2-[3-[4-(2-tert-butylphenyl)-2,3-dihydroquinoxalin-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)c1cccc(C(C)C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CCN(c3ccccc3C(C)(C)C)c3ccccc32)c1.

What is the InChIKey of 2-[3-[4-(2-tert-butylphenyl)-2,3-dihydroquinoxalin-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The InChIKey is LRKGNVGXZFODRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H60N4O/c1-37(2)44-19-17-20-45(38(3)4)55(44)39-32-41(59-30-31-60(52-25-16-15-24-51(52)59)50-23-14-12-21-48(50)57(8,9)10)35-43(33-39)62-42-26-27-47-46-18-11-13-22-49(46)61(53(47)36-42)54-34-40(28-29-58-54)56(5,6)7/h11-29,32-38H,30-31H2,1-10H3.

What are the key properties of 2-[3-[4-(2-tert-butylphenyl)-2,3-dihydroquinoxalin-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

2-[3-[4-(2-tert-butylphenyl)-2,3-dihydroquinoxalin-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 817.13 g/mol, XLogP of 15.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2-tert-butylphenyl)-2,3-dihydroquinoxalin-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 168805636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).