2-bromobenzaldehyde;5-bromobenzo[c]acridine;4-bromonaphthalen-1-amine;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[c]acridine;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane

C105H75BBr3N3O3 — CID 158952299

About 2-bromobenzaldehyde;5-bromobenzo[c]acridine;4-bromonaphthalen-1-amine;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[c]acridine;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane

2-bromobenzaldehyde;5-bromobenzo[c]acridine;4-bromonaphthalen-1-amine;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[c]acridine;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane (PubChem CID 158952299) has the molecular formula C105H75BBr3N3O3 and a molecular weight of 1677.30 g/mol. Its IUPAC name is 2-bromobenzaldehyde;5-bromobenzo[c]acridine;4-bromonaphthalen-1-amine;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[c]acridine;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-bromobenzaldehyde;5-bromobenzo[c]acridine;4-bromonaphthalen-1-amine;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[c]acridine;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane
• PubChem CID: 158952299
• Molecular Formula: C105H75BBr3N3O3
• Molecular Weight: 1677.30 g/mol
• Exact Mass: 1673.35
• IUPAC Name: 2-bromobenzaldehyde;5-bromobenzo[c]acridine;4-bromonaphthalen-1-amine;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[c]acridine;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane
• SMILES: Brc1cc2cc3ccccc3nc2c2ccccc12.CC1(C)OB(c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)OC1(C)C.Nc1ccc(Br)c2ccccc12.O=Cc1ccccc1Br.c1ccc2nc3c(cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c4ccccc43)cc2c1
• InChI: InChI=1S/C41H25N.C30H27BO2.C17H10BrN.C10H8BrN.C7H5BrO/c1-3-15-29-26(12-1)14-11-22-31(29)39-32-17-5-7-19-34(32)40(35-20-8-6-18-33(35)39)37-25-28-24-27-13-2-10-23-38(27)42-41(28)36-21-9-4-16-30(36)37;1-29(2)30(3,4)33-31(32-29)28-25-17-9-7-15-23(25)27(24-16-8-10-18-26(24)28)22-19-11-13-20-12-5-6-14-21(20)22;18-15-10-12-9-11-5-1-4-8-16(11)19-17(12)14-7-3-2-6-13(14)15;11-9-5-6-10(12)8-4-2-1-3-7(8)9;8-7-4-2-1-3-6(7)5-9/h1-25H;5-19H,1-4H3;1-10H;1-6H,12H2;1-5H
• InChIKey: JLOUXIJXGDKHTH-UHFFFAOYSA-N
• XLogP: 29.20
• TPSA: 87.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1677.30
LogP ≤ 5	29.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromobenzaldehyde;5-bromobenzo[c]acridine;4-bromonaphthalen-1-amine;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[c]acridine;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane?

The IUPAC name of 2-bromobenzaldehyde;5-bromobenzo[c]acridine;4-bromonaphthalen-1-amine;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[c]acridine;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane (CID 158952299) is 2-bromobenzaldehyde;5-bromobenzo[c]acridine;4-bromonaphthalen-1-amine;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[c]acridine;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 2-bromobenzaldehyde;5-bromobenzo[c]acridine;4-bromonaphthalen-1-amine;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[c]acridine;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 2-bromobenzaldehyde;5-bromobenzo[c]acridine;4-bromonaphthalen-1-amine;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[c]acridine;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane is Brc1cc2cc3ccccc3nc2c2ccccc12.CC1(C)OB(c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)OC1(C)C.Nc1ccc(Br)c2ccccc12.O=Cc1ccccc1Br.c1ccc2nc3c(cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c4ccccc43)cc2c1.

What is the InChIKey of 2-bromobenzaldehyde;5-bromobenzo[c]acridine;4-bromonaphthalen-1-amine;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[c]acridine;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane?

The InChIKey is JLOUXIJXGDKHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N.C30H27BO2.C17H10BrN.C10H8BrN.C7H5BrO/c1-3-15-29-26(12-1)14-11-22-31(29)39-32-17-5-7-19-34(32)40(35-20-8-6-18-33(35)39)37-25-28-24-27-13-2-10-23-38(27)42-41(28)36-21-9-4-16-30(36)37;1-29(2)30(3,4)33-31(32-29)28-25-17-9-7-15-23(25)27(24-16-8-10-18-26(24)28)22-19-11-13-20-12-5-6-14-21(20)22;18-15-10-12-9-11-5-1-4-8-16(11)19-17(12)14-7-3-2-6-13(14)15;11-9-5-6-10(12)8-4-2-1-3-7(8)9;8-7-4-2-1-3-6(7)5-9/h1-25H;5-19H,1-4H3;1-10H;1-6H,12H2;1-5H.

What are the key properties of 2-bromobenzaldehyde;5-bromobenzo[c]acridine;4-bromonaphthalen-1-amine;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[c]acridine;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane?

2-bromobenzaldehyde;5-bromobenzo[c]acridine;4-bromonaphthalen-1-amine;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[c]acridine;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane has a molecular weight of 1677.30 g/mol, XLogP of 29.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromobenzaldehyde;5-bromobenzo[c]acridine;4-bromonaphthalen-1-amine;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[c]acridine;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158952299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).