2,7-bis(9,9-dimethylfluoren-2-yl)-1,8-naphthyridine;2,7-dichloro-1,8-naphthyridine;(9,9-dimethylfluoren-2-yl)boronic acid;tetraphenylphosphanium;tris(triphenylphosphane)

C139H114BCl2N4O2P4+ — CID 159431114

About 2,7-bis(9,9-dimethylfluoren-2-yl)-1,8-naphthyridine;2,7-dichloro-1,8-naphthyridine;(9,9-dimethylfluoren-2-yl)boronic acid;tetraphenylphosphanium;tris(triphenylphosphane)

2,7-bis(9,9-dimethylfluoren-2-yl)-1,8-naphthyridine;2,7-dichloro-1,8-naphthyridine;(9,9-dimethylfluoren-2-yl)boronic acid;tetraphenylphosphanium;tris(triphenylphosphane) (PubChem CID 159431114) has the molecular formula C139H114BCl2N4O2P4+ and a molecular weight of 2078.08 g/mol. Its IUPAC name is 2,7-bis(9,9-dimethylfluoren-2-yl)-1,8-naphthyridine;2,7-dichloro-1,8-naphthyridine;(9,9-dimethylfluoren-2-yl)boronic acid;tetraphenylphosphanium;tris(triphenylphosphane).

Molecular Properties

• Compound Name: 2,7-bis(9,9-dimethylfluoren-2-yl)-1,8-naphthyridine;2,7-dichloro-1,8-naphthyridine;(9,9-dimethylfluoren-2-yl)boronic acid;tetraphenylphosphanium;tris(triphenylphosphane)
• PubChem CID: 159431114
• Molecular Formula: C139H114BCl2N4O2P4+
• Molecular Weight: 2078.08 g/mol
• Exact Mass: 2075.74
• IUPAC Name: 2,7-bis(9,9-dimethylfluoren-2-yl)-1,8-naphthyridine;2,7-dichloro-1,8-naphthyridine;(9,9-dimethylfluoren-2-yl)boronic acid;tetraphenylphosphanium;tris(triphenylphosphane)
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)nc4n3)cc21.CC1(C)c2ccccc2-c2ccc(B(O)O)cc21.Clc1ccc2ccc(Cl)nc2n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C38H30N2.C24H20P.3C18H15P.C15H15BO2.C8H4Cl2N2/c1-37(2)30-11-7-5-9-26(30)28-17-13-24(21-32(28)37)34-19-15-23-16-20-35(40-36(23)39-34)25-14-18-29-27-10-6-8-12-31(27)38(3,4)33(29)22-25;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16(17)18)9-14(12)15;9-6-3-1-5-2-4-7(10)12-8(5)11-6/h5-22H,1-4H3;1-20H;3*1-15H;3-9,17-18H,1-2H3;1-4H/q;+1
• InChIKey: VJZRQURVHPCGHN-UHFFFAOYSA-N
• XLogP: 28.83
• TPSA: 92.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2078.08
LogP ≤ 5	28.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(9,9-dimethylfluoren-2-yl)-1,8-naphthyridine;2,7-dichloro-1,8-naphthyridine;(9,9-dimethylfluoren-2-yl)boronic acid;tetraphenylphosphanium;tris(triphenylphosphane)?

The IUPAC name of 2,7-bis(9,9-dimethylfluoren-2-yl)-1,8-naphthyridine;2,7-dichloro-1,8-naphthyridine;(9,9-dimethylfluoren-2-yl)boronic acid;tetraphenylphosphanium;tris(triphenylphosphane) (CID 159431114) is 2,7-bis(9,9-dimethylfluoren-2-yl)-1,8-naphthyridine;2,7-dichloro-1,8-naphthyridine;(9,9-dimethylfluoren-2-yl)boronic acid;tetraphenylphosphanium;tris(triphenylphosphane).

What is the SMILES notation for 2,7-bis(9,9-dimethylfluoren-2-yl)-1,8-naphthyridine;2,7-dichloro-1,8-naphthyridine;(9,9-dimethylfluoren-2-yl)boronic acid;tetraphenylphosphanium;tris(triphenylphosphane)?

The canonical SMILES for 2,7-bis(9,9-dimethylfluoren-2-yl)-1,8-naphthyridine;2,7-dichloro-1,8-naphthyridine;(9,9-dimethylfluoren-2-yl)boronic acid;tetraphenylphosphanium;tris(triphenylphosphane) is CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)nc4n3)cc21.CC1(C)c2ccccc2-c2ccc(B(O)O)cc21.Clc1ccc2ccc(Cl)nc2n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2,7-bis(9,9-dimethylfluoren-2-yl)-1,8-naphthyridine;2,7-dichloro-1,8-naphthyridine;(9,9-dimethylfluoren-2-yl)boronic acid;tetraphenylphosphanium;tris(triphenylphosphane)?

The InChIKey is VJZRQURVHPCGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N2.C24H20P.3C18H15P.C15H15BO2.C8H4Cl2N2/c1-37(2)30-11-7-5-9-26(30)28-17-13-24(21-32(28)37)34-19-15-23-16-20-35(40-36(23)39-34)25-14-18-29-27-10-6-8-12-31(27)38(3,4)33(29)22-25;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16(17)18)9-14(12)15;9-6-3-1-5-2-4-7(10)12-8(5)11-6/h5-22H,1-4H3;1-20H;3*1-15H;3-9,17-18H,1-2H3;1-4H/q;+1;;;;;.

What are the key properties of 2,7-bis(9,9-dimethylfluoren-2-yl)-1,8-naphthyridine;2,7-dichloro-1,8-naphthyridine;(9,9-dimethylfluoren-2-yl)boronic acid;tetraphenylphosphanium;tris(triphenylphosphane)?

2,7-bis(9,9-dimethylfluoren-2-yl)-1,8-naphthyridine;2,7-dichloro-1,8-naphthyridine;(9,9-dimethylfluoren-2-yl)boronic acid;tetraphenylphosphanium;tris(triphenylphosphane) has a molecular weight of 2078.08 g/mol, XLogP of 28.83, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-bis(9,9-dimethylfluoren-2-yl)-1,8-naphthyridine;2,7-dichloro-1,8-naphthyridine;(9,9-dimethylfluoren-2-yl)boronic acid;tetraphenylphosphanium;tris(triphenylphosphane) is sourced from PubChem (CID 159431114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).