9-(4-propan-2-yl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-8aH-imidazo[1,2-a]pyridin-3-yl]phenoxy]carbazole

C42H38N4O — CID 162281140

About 9-(4-propan-2-yl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-8aH-imidazo[1,2-a]pyridin-3-yl]phenoxy]carbazole

9-(4-propan-2-yl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-8aH-imidazo[1,2-a]pyridin-3-yl]phenoxy]carbazole (PubChem CID 162281140) has the molecular formula C42H38N4O and a molecular weight of 614.79 g/mol. Its IUPAC name is 9-(4-propan-2-yl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-8aH-imidazo[1,2-a]pyridin-3-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-propan-2-yl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-8aH-imidazo[1,2-a]pyridin-3-yl]phenoxy]carbazole
• PubChem CID: 162281140
• Molecular Formula: C42H38N4O
• Molecular Weight: 614.79 g/mol
• Exact Mass: 614.30
• IUPAC Name: 9-(4-propan-2-yl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-8aH-imidazo[1,2-a]pyridin-3-yl]phenoxy]carbazole
• SMILES: Cc1cc(C)c(N2C=C(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)C)ccn6)c5c4)c3)N3C=CC=CC32)c(C)c1
• InChI: InChI=1S/C42H38N4O/c1-27(2)31-18-19-43-40(24-31)46-37-14-7-6-13-35(37)36-17-16-34(25-38(36)46)47-33-12-10-11-32(23-33)39-26-45(41-15-8-9-20-44(39)41)42-29(4)21-28(3)22-30(42)5/h6-27,41H,1-5H3
• InChIKey: HDASHYFEPVITLS-UHFFFAOYSA-N
• XLogP: 10.55
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.79
LogP ≤ 5	10.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-(4-propan-2-yl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-8aH-imidazo[1,2-a]pyridin-3-yl]phenoxy]carbazole?

The IUPAC name of 9-(4-propan-2-yl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-8aH-imidazo[1,2-a]pyridin-3-yl]phenoxy]carbazole (CID 162281140) is 9-(4-propan-2-yl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-8aH-imidazo[1,2-a]pyridin-3-yl]phenoxy]carbazole.

What is the SMILES notation for 9-(4-propan-2-yl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-8aH-imidazo[1,2-a]pyridin-3-yl]phenoxy]carbazole?

The canonical SMILES for 9-(4-propan-2-yl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-8aH-imidazo[1,2-a]pyridin-3-yl]phenoxy]carbazole is Cc1cc(C)c(N2C=C(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)C)ccn6)c5c4)c3)N3C=CC=CC32)c(C)c1.

What is the InChIKey of 9-(4-propan-2-yl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-8aH-imidazo[1,2-a]pyridin-3-yl]phenoxy]carbazole?

The InChIKey is HDASHYFEPVITLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N4O/c1-27(2)31-18-19-43-40(24-31)46-37-14-7-6-13-35(37)36-17-16-34(25-38(36)46)47-33-12-10-11-32(23-33)39-26-45(41-15-8-9-20-44(39)41)42-29(4)21-28(3)22-30(42)5/h6-27,41H,1-5H3.

What are the key properties of 9-(4-propan-2-yl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-8aH-imidazo[1,2-a]pyridin-3-yl]phenoxy]carbazole?

9-(4-propan-2-yl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-8aH-imidazo[1,2-a]pyridin-3-yl]phenoxy]carbazole has a molecular weight of 614.79 g/mol, XLogP of 10.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-propan-2-yl-2-pyridinyl)-2-[3-[1-(2,4,6-trimethylphenyl)-8aH-imidazo[1,2-a]pyridin-3-yl]phenoxy]carbazole is sourced from PubChem (CID 162281140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).