3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-3,5-diaza-1-azanidacyclohexa-2,4-dien-2-yl]dibenzofuran-4-yl]carbazole

C51H33N4O- — CID 163944864

About 3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-3,5-diaza-1-azanidacyclohexa-2,4-dien-2-yl]dibenzofuran-4-yl]carbazole

3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-3,5-diaza-1-azanidacyclohexa-2,4-dien-2-yl]dibenzofuran-4-yl]carbazole (PubChem CID 163944864) has the molecular formula C51H33N4O- and a molecular weight of 717.85 g/mol. Its IUPAC name is 3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-3,5-diaza-1-azanidacyclohexa-2,4-dien-2-yl]dibenzofuran-4-yl]carbazole.

Molecular Properties

• Compound Name: 3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-3,5-diaza-1-azanidacyclohexa-2,4-dien-2-yl]dibenzofuran-4-yl]carbazole
• PubChem CID: 163944864
• Molecular Formula: C51H33N4O-
• Molecular Weight: 717.85 g/mol
• Exact Mass: 717.27
• IUPAC Name: 3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-3,5-diaza-1-azanidacyclohexa-2,4-dien-2-yl]dibenzofuran-4-yl]carbazole
• SMILES: c1ccc(C2=NC(c3cccc(-c4ccccc4)c3)[N-]C(c3ccc4c(c3)oc3c(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)cccc34)=N2)cc1
• InChI: InChI=1S/C51H33N4O/c1-4-14-33(15-5-1)36-20-12-21-38(30-36)50-52-49(35-18-8-3-9-19-35)53-51(54-50)39-26-28-41-42-23-13-25-46(48(42)56-47(41)32-39)55-44-24-11-10-22-40(44)43-31-37(27-29-45(43)55)34-16-6-2-7-17-34/h1-32,50H/q-1
• InChIKey: RUFILTYEECDTRF-UHFFFAOYSA-N
• XLogP: 13.30
• TPSA: 56.89 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.85
LogP ≤ 5	13.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-3,5-diaza-1-azanidacyclohexa-2,4-dien-2-yl]dibenzofuran-4-yl]carbazole?

The IUPAC name of 3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-3,5-diaza-1-azanidacyclohexa-2,4-dien-2-yl]dibenzofuran-4-yl]carbazole (CID 163944864) is 3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-3,5-diaza-1-azanidacyclohexa-2,4-dien-2-yl]dibenzofuran-4-yl]carbazole.

What is the SMILES notation for 3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-3,5-diaza-1-azanidacyclohexa-2,4-dien-2-yl]dibenzofuran-4-yl]carbazole?

The canonical SMILES for 3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-3,5-diaza-1-azanidacyclohexa-2,4-dien-2-yl]dibenzofuran-4-yl]carbazole is c1ccc(C2=NC(c3cccc(-c4ccccc4)c3)[N-]C(c3ccc4c(c3)oc3c(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)cccc34)=N2)cc1.

What is the InChIKey of 3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-3,5-diaza-1-azanidacyclohexa-2,4-dien-2-yl]dibenzofuran-4-yl]carbazole?

The InChIKey is RUFILTYEECDTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N4O/c1-4-14-33(15-5-1)36-20-12-21-38(30-36)50-52-49(35-18-8-3-9-19-35)53-51(54-50)39-26-28-41-42-23-13-25-46(48(42)56-47(41)32-39)55-44-24-11-10-22-40(44)43-31-37(27-29-45(43)55)34-16-6-2-7-17-34/h1-32,50H/q-1.

What are the key properties of 3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-3,5-diaza-1-azanidacyclohexa-2,4-dien-2-yl]dibenzofuran-4-yl]carbazole?

3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-3,5-diaza-1-azanidacyclohexa-2,4-dien-2-yl]dibenzofuran-4-yl]carbazole has a molecular weight of 717.85 g/mol, XLogP of 13.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-3,5-diaza-1-azanidacyclohexa-2,4-dien-2-yl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 163944864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).