8-[3,6-bis(4-pyridin-4-ylphenyl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(4-bromophenyl)pyridine

C93H72B2BrN7O4 — CID 158402347

About 8-[3,6-bis(4-pyridin-4-ylphenyl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(4-bromophenyl)pyridine

8-[3,6-bis(4-pyridin-4-ylphenyl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(4-bromophenyl)pyridine (PubChem CID 158402347) has the molecular formula C93H72B2BrN7O4 and a molecular weight of 1453.17 g/mol. Its IUPAC name is 8-[3,6-bis(4-pyridin-4-ylphenyl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(4-bromophenyl)pyridine.

Molecular Properties

• Compound Name: 8-[3,6-bis(4-pyridin-4-ylphenyl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(4-bromophenyl)pyridine
• PubChem CID: 158402347
• Molecular Formula: C93H72B2BrN7O4
• Molecular Weight: 1453.17 g/mol
• Exact Mass: 1451.50
• IUPAC Name: 8-[3,6-bis(4-pyridin-4-ylphenyl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(4-bromophenyl)pyridine
• SMILES: Brc1ccc(-c2ccncc2)cc1.CC1(C)OB(c2ccc3c(c2)-c2cc(B4OC(C)(C)C(C)(C)O4)ccc2C3=C2c3ccncc3-c3cnccc32)OC1(C)C.c1cc(-c2ccc(-c3ccc4c(c3)-c3cc(-c5ccc(-c6ccncc6)cc5)ccc3C4=C3c4ccncc4-c4cnccc43)cc2)ccn1
• InChI: InChI=1S/C46H28N4.C36H36B2N2O4.C11H8BrN/c1-5-31(6-2-29(1)33-13-19-47-20-14-33)35-9-11-37-41(25-35)42-26-36(32-7-3-30(4-8-32)34-15-21-48-22-16-34)10-12-38(42)45(37)46-39-17-23-49-27-43(39)44-28-50-24-18-40(44)46;1-33(2)34(3,4)42-37(41-33)21-9-11-23-27(17-21)28-18-22(38-43-35(5,6)36(7,8)44-38)10-12-24(28)31(23)32-25-13-15-39-19-29(25)30-20-40-16-14-26(30)32;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-28H;9-20H,1-8H3;1-8H
• InChIKey: GYGJRNVFWDLZOG-UHFFFAOYSA-N
• XLogP: 20.46
• TPSA: 127.15 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1453.17
LogP ≤ 5	20.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[3,6-bis(4-pyridin-4-ylphenyl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(4-bromophenyl)pyridine?

The IUPAC name of 8-[3,6-bis(4-pyridin-4-ylphenyl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(4-bromophenyl)pyridine (CID 158402347) is 8-[3,6-bis(4-pyridin-4-ylphenyl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(4-bromophenyl)pyridine.

What is the SMILES notation for 8-[3,6-bis(4-pyridin-4-ylphenyl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(4-bromophenyl)pyridine?

The canonical SMILES for 8-[3,6-bis(4-pyridin-4-ylphenyl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(4-bromophenyl)pyridine is Brc1ccc(-c2ccncc2)cc1.CC1(C)OB(c2ccc3c(c2)-c2cc(B4OC(C)(C)C(C)(C)O4)ccc2C3=C2c3ccncc3-c3cnccc32)OC1(C)C.c1cc(-c2ccc(-c3ccc4c(c3)-c3cc(-c5ccc(-c6ccncc6)cc5)ccc3C4=C3c4ccncc4-c4cnccc43)cc2)ccn1.

What is the InChIKey of 8-[3,6-bis(4-pyridin-4-ylphenyl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(4-bromophenyl)pyridine?

The InChIKey is GYGJRNVFWDLZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4.C36H36B2N2O4.C11H8BrN/c1-5-31(6-2-29(1)33-13-19-47-20-14-33)35-9-11-37-41(25-35)42-26-36(32-7-3-30(4-8-32)34-15-21-48-22-16-34)10-12-38(42)45(37)46-39-17-23-49-27-43(39)44-28-50-24-18-40(44)46;1-33(2)34(3,4)42-37(41-33)21-9-11-23-27(17-21)28-18-22(38-43-35(5,6)36(7,8)44-38)10-12-24(28)31(23)32-25-13-15-39-19-29(25)30-20-40-16-14-26(30)32;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-28H;9-20H,1-8H3;1-8H.

What are the key properties of 8-[3,6-bis(4-pyridin-4-ylphenyl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(4-bromophenyl)pyridine?

8-[3,6-bis(4-pyridin-4-ylphenyl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(4-bromophenyl)pyridine has a molecular weight of 1453.17 g/mol, XLogP of 20.46, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3,6-bis(4-pyridin-4-ylphenyl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(4-bromophenyl)pyridine is sourced from PubChem (CID 158402347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).