4-carbazol-9-yl-2-[2-(5-carbazol-9-yl-2-nitrophenyl)-3,6-difluorophenyl]phenol

C42H25F2N3O3 — CID 59147392

About 4-carbazol-9-yl-2-[2-(5-carbazol-9-yl-2-nitrophenyl)-3,6-difluorophenyl]phenol

4-carbazol-9-yl-2-[2-(5-carbazol-9-yl-2-nitrophenyl)-3,6-difluorophenyl]phenol (PubChem CID 59147392) has the molecular formula C42H25F2N3O3 and a molecular weight of 657.68 g/mol. Its IUPAC name is 4-carbazol-9-yl-2-[2-(5-carbazol-9-yl-2-nitrophenyl)-3,6-difluorophenyl]phenol.

Molecular Properties

• Compound Name: 4-carbazol-9-yl-2-[2-(5-carbazol-9-yl-2-nitrophenyl)-3,6-difluorophenyl]phenol
• PubChem CID: 59147392
• Molecular Formula: C42H25F2N3O3
• Molecular Weight: 657.68 g/mol
• Exact Mass: 657.19
• IUPAC Name: 4-carbazol-9-yl-2-[2-(5-carbazol-9-yl-2-nitrophenyl)-3,6-difluorophenyl]phenol
• SMILES: O=[N+]([O-])c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1c(F)ccc(F)c1-c1cc(-n2c3ccccc3c3ccccc32)ccc1O
• InChI: InChI=1S/C42H25F2N3O3/c43-33-19-20-34(44)42(32-24-26(18-22-40(32)48)46-37-15-7-3-11-29(37)30-12-4-8-16-38(30)46)41(33)31-23-25(17-21-39(31)47(49)50)45-35-13-5-1-9-27(35)28-10-2-6-14-36(28)45/h1-24,48H
• InChIKey: RRYKUTNZVQRCLX-UHFFFAOYSA-N
• XLogP: 11.11
• TPSA: 73.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.68
LogP ≤ 5	11.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-2-[2-(5-carbazol-9-yl-2-nitrophenyl)-3,6-difluorophenyl]phenol?

The IUPAC name of 4-carbazol-9-yl-2-[2-(5-carbazol-9-yl-2-nitrophenyl)-3,6-difluorophenyl]phenol (CID 59147392) is 4-carbazol-9-yl-2-[2-(5-carbazol-9-yl-2-nitrophenyl)-3,6-difluorophenyl]phenol.

What is the SMILES notation for 4-carbazol-9-yl-2-[2-(5-carbazol-9-yl-2-nitrophenyl)-3,6-difluorophenyl]phenol?

The canonical SMILES for 4-carbazol-9-yl-2-[2-(5-carbazol-9-yl-2-nitrophenyl)-3,6-difluorophenyl]phenol is O=[N+]([O-])c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1c(F)ccc(F)c1-c1cc(-n2c3ccccc3c3ccccc32)ccc1O.

What is the InChIKey of 4-carbazol-9-yl-2-[2-(5-carbazol-9-yl-2-nitrophenyl)-3,6-difluorophenyl]phenol?

The InChIKey is RRYKUTNZVQRCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25F2N3O3/c43-33-19-20-34(44)42(32-24-26(18-22-40(32)48)46-37-15-7-3-11-29(37)30-12-4-8-16-38(30)46)41(33)31-23-25(17-21-39(31)47(49)50)45-35-13-5-1-9-27(35)28-10-2-6-14-36(28)45/h1-24,48H.

What are the key properties of 4-carbazol-9-yl-2-[2-(5-carbazol-9-yl-2-nitrophenyl)-3,6-difluorophenyl]phenol?

4-carbazol-9-yl-2-[2-(5-carbazol-9-yl-2-nitrophenyl)-3,6-difluorophenyl]phenol has a molecular weight of 657.68 g/mol, XLogP of 11.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-carbazol-9-yl-2-[2-(5-carbazol-9-yl-2-nitrophenyl)-3,6-difluorophenyl]phenol is sourced from PubChem (CID 59147392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).