2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

C55H49N5O — CID 176783962

About 2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 176783962) has the molecular formula C55H49N5O and a molecular weight of 796.03 g/mol. Its IUPAC name is 2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• PubChem CID: 176783962
• Molecular Formula: C55H49N5O
• Molecular Weight: 796.03 g/mol
• Exact Mass: 795.39
• IUPAC Name: 2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• SMILES: CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccncc65)c4)cc32)c1
• InChI: InChI=1S/C55H49N5O/c1-54(2,3)39-26-29-57-52(32-39)60-48-23-14-13-22-44(48)45-25-24-43(34-50(45)60)61-42-21-15-20-41(33-42)58-36-59(49-27-28-56-35-51(49)58)53-46(37-16-9-7-10-17-37)30-40(55(4,5)6)31-47(53)38-18-11-8-12-19-38/h7-35H,36H2,1-6H3
• InChIKey: RPWJAQNLJHEYSN-UHFFFAOYSA-N
• XLogP: 14.54
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.03
LogP ≤ 5	14.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The IUPAC name of 2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 176783962) is 2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

What is the SMILES notation for 2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The canonical SMILES for 2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccncc65)c4)cc32)c1.

What is the InChIKey of 2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The InChIKey is RPWJAQNLJHEYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H49N5O/c1-54(2,3)39-26-29-57-52(32-39)60-48-23-14-13-22-44(48)45-25-24-43(34-50(45)60)61-42-21-15-20-41(33-42)58-36-59(49-27-28-56-35-51(49)58)53-46(37-16-9-7-10-17-37)30-40(55(4,5)6)31-47(53)38-18-11-8-12-19-38/h7-35H,36H2,1-6H3.

What are the key properties of 2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 796.03 g/mol, XLogP of 14.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 176783962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).