(1Z,3Z)-4-fluoro-1-[2-[9-(8-pyridin-3-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazol-3-yl]phenyl]buta-1,3-dien-1-amine

C50H33FN4O — CID 147346092

About (1Z,3Z)-4-fluoro-1-[2-[9-(8-pyridin-3-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazol-3-yl]phenyl]buta-1,3-dien-1-amine

(1Z,3Z)-4-fluoro-1-[2-[9-(8-pyridin-3-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazol-3-yl]phenyl]buta-1,3-dien-1-amine (PubChem CID 147346092) has the molecular formula C50H33FN4O and a molecular weight of 724.84 g/mol. Its IUPAC name is (1Z,3Z)-4-fluoro-1-[2-[9-(8-pyridin-3-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazol-3-yl]phenyl]buta-1,3-dien-1-amine.

Molecular Properties

• Compound Name: (1Z,3Z)-4-fluoro-1-[2-[9-(8-pyridin-3-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazol-3-yl]phenyl]buta-1,3-dien-1-amine
• PubChem CID: 147346092
• Molecular Formula: C50H33FN4O
• Molecular Weight: 724.84 g/mol
• Exact Mass: 724.26
• IUPAC Name: (1Z,3Z)-4-fluoro-1-[2-[9-(8-pyridin-3-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazol-3-yl]phenyl]buta-1,3-dien-1-amine
• SMILES: N/C(=C\C=C/F)c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3-c3ccccn3)ccc1n2-c1ccc2oc3ccc(-c4cccnc4)cc3c2c1
• InChI: InChI=1S/C50H33FN4O/c51-24-7-14-45(52)39-12-3-1-10-37(39)33-16-20-47-41(28-33)42-29-34(38-11-2-4-13-40(38)46-15-5-6-26-54-46)17-21-48(42)55(47)36-19-23-50-44(30-36)43-27-32(18-22-49(43)56-50)35-9-8-25-53-31-35/h1-31H,52H2/b24-7-,45-14-
• InChIKey: DELQUQUQTFJTHC-TYHCHRDKSA-N
• XLogP: 12.92
• TPSA: 69.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.84
LogP ≤ 5	12.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-4-fluoro-1-[2-[9-(8-pyridin-3-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazol-3-yl]phenyl]buta-1,3-dien-1-amine?

The IUPAC name of (1Z,3Z)-4-fluoro-1-[2-[9-(8-pyridin-3-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazol-3-yl]phenyl]buta-1,3-dien-1-amine (CID 147346092) is (1Z,3Z)-4-fluoro-1-[2-[9-(8-pyridin-3-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazol-3-yl]phenyl]buta-1,3-dien-1-amine.

What is the SMILES notation for (1Z,3Z)-4-fluoro-1-[2-[9-(8-pyridin-3-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazol-3-yl]phenyl]buta-1,3-dien-1-amine?

The canonical SMILES for (1Z,3Z)-4-fluoro-1-[2-[9-(8-pyridin-3-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazol-3-yl]phenyl]buta-1,3-dien-1-amine is N/C(=C\C=C/F)c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3-c3ccccn3)ccc1n2-c1ccc2oc3ccc(-c4cccnc4)cc3c2c1.

What is the InChIKey of (1Z,3Z)-4-fluoro-1-[2-[9-(8-pyridin-3-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazol-3-yl]phenyl]buta-1,3-dien-1-amine?

The InChIKey is DELQUQUQTFJTHC-TYHCHRDKSA-N. The full InChI is InChI=1S/C50H33FN4O/c51-24-7-14-45(52)39-12-3-1-10-37(39)33-16-20-47-41(28-33)42-29-34(38-11-2-4-13-40(38)46-15-5-6-26-54-46)17-21-48(42)55(47)36-19-23-50-44(30-36)43-27-32(18-22-49(43)56-50)35-9-8-25-53-31-35/h1-31H,52H2/b24-7-,45-14-.

What are the key properties of (1Z,3Z)-4-fluoro-1-[2-[9-(8-pyridin-3-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazol-3-yl]phenyl]buta-1,3-dien-1-amine?

(1Z,3Z)-4-fluoro-1-[2-[9-(8-pyridin-3-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazol-3-yl]phenyl]buta-1,3-dien-1-amine has a molecular weight of 724.84 g/mol, XLogP of 12.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1Z,3Z)-4-fluoro-1-[2-[9-(8-pyridin-3-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazol-3-yl]phenyl]buta-1,3-dien-1-amine is sourced from PubChem (CID 147346092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).