4-tert-butyl-8-[2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine

C42H37N3O — CID 170521788

About 4-tert-butyl-8-[2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine

4-tert-butyl-8-[2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 170521788) has the molecular formula C42H37N3O and a molecular weight of 599.78 g/mol. Its IUPAC name is 4-tert-butyl-8-[2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

• Compound Name: 4-tert-butyl-8-[2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
• PubChem CID: 170521788
• Molecular Formula: C42H37N3O
• Molecular Weight: 599.78 g/mol
• Exact Mass: 599.29
• IUPAC Name: 4-tert-butyl-8-[2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
• SMILES: CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(-c4ccccc4-c4ccc5oc6c(C(C)(C)C)ccnc6c5c4)cc32)c1
• InChI: InChI=1S/C42H37N3O/c1-41(2,3)28-19-21-43-38(25-28)45-35-14-10-9-13-31(35)32-17-15-27(24-36(32)45)30-12-8-7-11-29(30)26-16-18-37-33(23-26)39-40(46-37)34(20-22-44-39)42(4,5)6/h7-25H,1-6H3
• InChIKey: LTCZBXCITHSGEV-UHFFFAOYSA-N
• XLogP: 11.40
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.78
LogP ≤ 5	11.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-8-[2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?

The IUPAC name of 4-tert-butyl-8-[2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 170521788) is 4-tert-butyl-8-[2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.

What is the SMILES notation for 4-tert-butyl-8-[2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?

The canonical SMILES for 4-tert-butyl-8-[2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(-c4ccccc4-c4ccc5oc6c(C(C)(C)C)ccnc6c5c4)cc32)c1.

What is the InChIKey of 4-tert-butyl-8-[2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?

The InChIKey is LTCZBXCITHSGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H37N3O/c1-41(2,3)28-19-21-43-38(25-28)45-35-14-10-9-13-31(35)32-17-15-27(24-36(32)45)30-12-8-7-11-29(30)26-16-18-37-33(23-26)39-40(46-37)34(20-22-44-39)42(4,5)6/h7-25H,1-6H3.

What are the key properties of 4-tert-butyl-8-[2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?

4-tert-butyl-8-[2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 599.78 g/mol, XLogP of 11.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-8-[2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 170521788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).