1-methyl-3-[3-[2-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]propan-2-yl]phenyl]-2,1,3-benzoxadiazole

C34H30N4O — CID 161112544

About 1-methyl-3-[3-[2-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]propan-2-yl]phenyl]-2,1,3-benzoxadiazole

1-methyl-3-[3-[2-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]propan-2-yl]phenyl]-2,1,3-benzoxadiazole (PubChem CID 161112544) has the molecular formula C34H30N4O and a molecular weight of 510.64 g/mol. Its IUPAC name is 1-methyl-3-[3-[2-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]propan-2-yl]phenyl]-2,1,3-benzoxadiazole.

Molecular Properties

• Compound Name: 1-methyl-3-[3-[2-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]propan-2-yl]phenyl]-2,1,3-benzoxadiazole
• PubChem CID: 161112544
• Molecular Formula: C34H30N4O
• Molecular Weight: 510.64 g/mol
• Exact Mass: 510.24
• IUPAC Name: 1-methyl-3-[3-[2-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]propan-2-yl]phenyl]-2,1,3-benzoxadiazole
• SMILES: Cc1ccnc(-n2c3ccccc3c3ccc(C(C)(C)c4cccc(N5ON(C)c6ccccc65)c4)cc32)c1
• InChI: InChI=1S/C34H30N4O/c1-23-18-19-35-33(20-23)37-29-13-6-5-12-27(29)28-17-16-25(22-32(28)37)34(2,3)24-10-9-11-26(21-24)38-31-15-8-7-14-30(31)36(4)39-38/h5-22H,1-4H3
• InChIKey: WHZXWADBHBDNQJ-UHFFFAOYSA-N
• XLogP: 8.25
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.64
LogP ≤ 5	8.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[2-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]propan-2-yl]phenyl]-2,1,3-benzoxadiazole?

The IUPAC name of 1-methyl-3-[3-[2-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]propan-2-yl]phenyl]-2,1,3-benzoxadiazole (CID 161112544) is 1-methyl-3-[3-[2-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]propan-2-yl]phenyl]-2,1,3-benzoxadiazole.

What is the SMILES notation for 1-methyl-3-[3-[2-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]propan-2-yl]phenyl]-2,1,3-benzoxadiazole?

The canonical SMILES for 1-methyl-3-[3-[2-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]propan-2-yl]phenyl]-2,1,3-benzoxadiazole is Cc1ccnc(-n2c3ccccc3c3ccc(C(C)(C)c4cccc(N5ON(C)c6ccccc65)c4)cc32)c1.

What is the InChIKey of 1-methyl-3-[3-[2-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]propan-2-yl]phenyl]-2,1,3-benzoxadiazole?

The InChIKey is WHZXWADBHBDNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O/c1-23-18-19-35-33(20-23)37-29-13-6-5-12-27(29)28-17-16-25(22-32(28)37)34(2,3)24-10-9-11-26(21-24)38-31-15-8-7-14-30(31)36(4)39-38/h5-22H,1-4H3.

What are the key properties of 1-methyl-3-[3-[2-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]propan-2-yl]phenyl]-2,1,3-benzoxadiazole?

1-methyl-3-[3-[2-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]propan-2-yl]phenyl]-2,1,3-benzoxadiazole has a molecular weight of 510.64 g/mol, XLogP of 8.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[3-[2-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]propan-2-yl]phenyl]-2,1,3-benzoxadiazole is sourced from PubChem (CID 161112544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).