9-(4-bromonaphthalen-1-yl)carbazole;4-(4-carbazol-9-ylnaphthalen-1-yl)-2-phenylphenol;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

C74H58BBrN2O4 — CID 157215838

About 9-(4-bromonaphthalen-1-yl)carbazole;4-(4-carbazol-9-ylnaphthalen-1-yl)-2-phenylphenol;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

9-(4-bromonaphthalen-1-yl)carbazole;4-(4-carbazol-9-ylnaphthalen-1-yl)-2-phenylphenol;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (PubChem CID 157215838) has the molecular formula C74H58BBrN2O4 and a molecular weight of 1130.00 g/mol. Its IUPAC name is 9-(4-bromonaphthalen-1-yl)carbazole;4-(4-carbazol-9-ylnaphthalen-1-yl)-2-phenylphenol;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol.

Molecular Properties

• Compound Name: 9-(4-bromonaphthalen-1-yl)carbazole;4-(4-carbazol-9-ylnaphthalen-1-yl)-2-phenylphenol;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
• PubChem CID: 157215838
• Molecular Formula: C74H58BBrN2O4
• Molecular Weight: 1130.00 g/mol
• Exact Mass: 1128.37
• IUPAC Name: 9-(4-bromonaphthalen-1-yl)carbazole;4-(4-carbazol-9-ylnaphthalen-1-yl)-2-phenylphenol;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
• SMILES: Brc1ccc(-n2c3ccccc3c3ccccc32)c2ccccc12.CC1(C)OB(c2ccc(O)c(-c3ccccc3)c2)OC1(C)C.Oc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)c3ccccc23)cc1-c1ccccc1
• InChI: InChI=1S/C34H23NO.C22H14BrN.C18H21BO3/c36-34-21-18-24(22-30(34)23-10-2-1-3-11-23)25-19-20-33(27-13-5-4-12-26(25)27)35-31-16-8-6-14-28(31)29-15-7-9-17-32(29)35;23-19-13-14-22(16-8-2-1-7-15(16)19)24-20-11-5-3-9-17(20)18-10-4-6-12-21(18)24;1-17(2)18(3,4)22-19(21-17)14-10-11-16(20)15(12-14)13-8-6-5-7-9-13/h1-22,36H;1-14H;5-12,20H,1-4H3
• InChIKey: ASKGDQDKYWVAKI-UHFFFAOYSA-N
• XLogP: 19.03
• TPSA: 68.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1130.00
LogP ≤ 5	19.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromonaphthalen-1-yl)carbazole;4-(4-carbazol-9-ylnaphthalen-1-yl)-2-phenylphenol;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol?

The IUPAC name of 9-(4-bromonaphthalen-1-yl)carbazole;4-(4-carbazol-9-ylnaphthalen-1-yl)-2-phenylphenol;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (CID 157215838) is 9-(4-bromonaphthalen-1-yl)carbazole;4-(4-carbazol-9-ylnaphthalen-1-yl)-2-phenylphenol;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol.

What is the SMILES notation for 9-(4-bromonaphthalen-1-yl)carbazole;4-(4-carbazol-9-ylnaphthalen-1-yl)-2-phenylphenol;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol?

The canonical SMILES for 9-(4-bromonaphthalen-1-yl)carbazole;4-(4-carbazol-9-ylnaphthalen-1-yl)-2-phenylphenol;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is Brc1ccc(-n2c3ccccc3c3ccccc32)c2ccccc12.CC1(C)OB(c2ccc(O)c(-c3ccccc3)c2)OC1(C)C.Oc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)c3ccccc23)cc1-c1ccccc1.

What is the InChIKey of 9-(4-bromonaphthalen-1-yl)carbazole;4-(4-carbazol-9-ylnaphthalen-1-yl)-2-phenylphenol;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol?

The InChIKey is ASKGDQDKYWVAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23NO.C22H14BrN.C18H21BO3/c36-34-21-18-24(22-30(34)23-10-2-1-3-11-23)25-19-20-33(27-13-5-4-12-26(25)27)35-31-16-8-6-14-28(31)29-15-7-9-17-32(29)35;23-19-13-14-22(16-8-2-1-7-15(16)19)24-20-11-5-3-9-17(20)18-10-4-6-12-21(18)24;1-17(2)18(3,4)22-19(21-17)14-10-11-16(20)15(12-14)13-8-6-5-7-9-13/h1-22,36H;1-14H;5-12,20H,1-4H3.

What are the key properties of 9-(4-bromonaphthalen-1-yl)carbazole;4-(4-carbazol-9-ylnaphthalen-1-yl)-2-phenylphenol;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol?

9-(4-bromonaphthalen-1-yl)carbazole;4-(4-carbazol-9-ylnaphthalen-1-yl)-2-phenylphenol;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol has a molecular weight of 1130.00 g/mol, XLogP of 19.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-bromonaphthalen-1-yl)carbazole;4-(4-carbazol-9-ylnaphthalen-1-yl)-2-phenylphenol;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is sourced from PubChem (CID 157215838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).