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

C51H36FN3O — CID 147517995

About (1Z,3Z)-4-fluoro-1-[2-[9-(8-phenyl-8,9-dihydrodibenzofuran-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-phenyl-8,9-dihydrodibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazol-3-yl]phenyl]buta-1,3-dien-1-amine (PubChem CID 147517995) has the molecular formula C51H36FN3O and a molecular weight of 725.87 g/mol. Its IUPAC name is (1Z,3Z)-4-fluoro-1-[2-[9-(8-phenyl-8,9-dihydrodibenzofuran-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-phenyl-8,9-dihydrodibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazol-3-yl]phenyl]buta-1,3-dien-1-amine
• PubChem CID: 147517995
• Molecular Formula: C51H36FN3O
• Molecular Weight: 725.87 g/mol
• Exact Mass: 725.28
• IUPAC Name: (1Z,3Z)-4-fluoro-1-[2-[9-(8-phenyl-8,9-dihydrodibenzofuran-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-c1ccc2oc3c(c2c1)CC(c1ccccc1)C=C3
• InChI: InChI=1S/C51H36FN3O/c52-27-10-17-46(53)40-15-6-4-13-38(40)35-19-23-48-42(30-35)43-31-36(39-14-5-7-16-41(39)47-18-8-9-28-54-47)20-24-49(43)55(48)37-22-26-51-45(32-37)44-29-34(21-25-50(44)56-51)33-11-2-1-3-12-33/h1-28,30-32,34H,29,53H2/b27-10-,46-17-
• InChIKey: FKPHKXDJNNZOJN-BGRKSEFPSA-N
• XLogP: 13.06
• TPSA: 56.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.87
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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-phenyl-8,9-dihydrodibenzofuran-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-phenyl-8,9-dihydrodibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazol-3-yl]phenyl]buta-1,3-dien-1-amine (CID 147517995) is (1Z,3Z)-4-fluoro-1-[2-[9-(8-phenyl-8,9-dihydrodibenzofuran-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-phenyl-8,9-dihydrodibenzofuran-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-phenyl-8,9-dihydrodibenzofuran-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-c1ccc2oc3c(c2c1)CC(c1ccccc1)C=C3.

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

The InChIKey is FKPHKXDJNNZOJN-BGRKSEFPSA-N. The full InChI is InChI=1S/C51H36FN3O/c52-27-10-17-46(53)40-15-6-4-13-38(40)35-19-23-48-42(30-35)43-31-36(39-14-5-7-16-41(39)47-18-8-9-28-54-47)20-24-49(43)55(48)37-22-26-51-45(32-37)44-29-34(21-25-50(44)56-51)33-11-2-1-3-12-33/h1-28,30-32,34H,29,53H2/b27-10-,46-17-.

What are the key properties of (1Z,3Z)-4-fluoro-1-[2-[9-(8-phenyl-8,9-dihydrodibenzofuran-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-phenyl-8,9-dihydrodibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazol-3-yl]phenyl]buta-1,3-dien-1-amine has a molecular weight of 725.87 g/mol, XLogP of 13.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1Z,3Z)-4-fluoro-1-[2-[9-(8-phenyl-8,9-dihydrodibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazol-3-yl]phenyl]buta-1,3-dien-1-amine is sourced from PubChem (CID 147517995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).