2-N,7-N-bis(4-bromophenyl)-9-(3,5-dihexylphenyl)-9-octyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[2,5-bis(hex-5-enyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-bis(5-phenylpentyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;iridium

C207H251B4Br3IrN10O8-2 — CID 161148435

About 2-N,7-N-bis(4-bromophenyl)-9-(3,5-dihexylphenyl)-9-octyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[2,5-bis(hex-5-enyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-bis(5-phenylpentyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;iridium

2-N,7-N-bis(4-bromophenyl)-9-(3,5-dihexylphenyl)-9-octyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[2,5-bis(hex-5-enyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-bis(5-phenylpentyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;iridium (PubChem CID 161148435) has the molecular formula C207H251B4Br3IrN10O8-2 and a molecular weight of 3482.52 g/mol. Its IUPAC name is 2-N,7-N-bis(4-bromophenyl)-9-(3,5-dihexylphenyl)-9-octyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[2,5-bis(hex-5-enyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-bis(5-phenylpentyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;iridium.

Molecular Properties

• Compound Name: 2-N,7-N-bis(4-bromophenyl)-9-(3,5-dihexylphenyl)-9-octyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[2,5-bis(hex-5-enyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-bis(5-phenylpentyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;iridium
• PubChem CID: 161148435
• Molecular Formula: C207H251B4Br3IrN10O8-2
• Molecular Weight: 3482.52 g/mol
• Exact Mass: 3478.71
• IUPAC Name: 2-N,7-N-bis(4-bromophenyl)-9-(3,5-dihexylphenyl)-9-octyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[2,5-bis(hex-5-enyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-bis(5-phenylpentyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;iridium
• SMILES: C=CCCCCc1cc(B2OC(C)(C)C(C)(C)O2)c(CCCCC=C)cc1B1OC(C)(C)C(C)(C)O1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]ccc(Br)c4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cccc4)nc3)n2)cc1.CC1(C)OB(c2cc(CCCCCc3ccccc3)c(B3OC(C)(C)C(C)(C)O3)cc2CCCCCc2ccccc2)OC1(C)C.CCCCCCCCC1(c2cc(CCCCCC)cc(CCCCCC)c2)c2cc(N(c3ccc(Br)cc3)c3c(C)cc(C)cc3C)ccc2-c2ccc(N(c3ccc(Br)cc3)c3c(C)cc(C)cc3C)cc21.[Ir]
• InChI: InChI=1S/C69H82Br2N2.C40H56B2O4.C34H32BrN4.C34H33N4.C30H48B2O4.Ir/c1-10-13-16-19-20-23-38-69(56-44-54(24-21-17-14-11-2)43-55(45-56)25-22-18-15-12-3)65-46-61(72(59-30-26-57(70)27-31-59)67-50(6)39-48(4)40-51(67)7)34-36-63(65)64-37-35-62(47-66(64)69)73(60-32-28-58(71)29-33-60)68-52(8)41-49(5)42-53(68)9;1-37(2)38(3,4)44-41(43-37)35-29-34(28-20-12-18-26-32-23-15-10-16-24-32)36(42-45-39(5,6)40(7,8)46-42)30-33(35)27-19-11-17-25-31-21-13-9-14-22-31;1-33(2,3)26-15-10-22(11-16-26)30-37-31(23-12-17-27(18-13-23)34(4,5)6)39-32(38-30)25-14-19-29(36-21-25)24-8-7-9-28(35)20-24;1-33(2,3)27-17-12-24(13-18-27)30-36-31(25-14-19-28(20-15-25)34(4,5)6)38-32(37-30)26-16-21-29(35-22-26)23-10-8-7-9-11-23;1-11-13-15-17-19-23-21-26(32-35-29(7,8)30(9,10)36-32)24(20-18-16-14-12-2)22-25(23)31-33-27(3,4)28(5,6)34-31;/h26-37,39-47H,10-25,38H2,1-9H3;9-10,13-16,21-24,29-30H,11-12,17-20,25-28H2,1-8H3;7,9-21H,1-6H3;7-10,12-22H,1-6H3;11-12,21-22H,1-2,13-20H2,3-10H3;/q;;2*-1
• InChIKey: PXRHMEFUNBDMMQ-UHFFFAOYSA-N
• XLogP: 54.01
• TPSA: 183.44 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 58
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3482.52
LogP ≤ 5	54.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(4-bromophenyl)-9-(3,5-dihexylphenyl)-9-octyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[2,5-bis(hex-5-enyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-bis(5-phenylpentyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;iridium?

The IUPAC name of 2-N,7-N-bis(4-bromophenyl)-9-(3,5-dihexylphenyl)-9-octyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[2,5-bis(hex-5-enyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-bis(5-phenylpentyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;iridium (CID 161148435) is 2-N,7-N-bis(4-bromophenyl)-9-(3,5-dihexylphenyl)-9-octyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[2,5-bis(hex-5-enyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-bis(5-phenylpentyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;iridium.

What is the SMILES notation for 2-N,7-N-bis(4-bromophenyl)-9-(3,5-dihexylphenyl)-9-octyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[2,5-bis(hex-5-enyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-bis(5-phenylpentyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;iridium?

The canonical SMILES for 2-N,7-N-bis(4-bromophenyl)-9-(3,5-dihexylphenyl)-9-octyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[2,5-bis(hex-5-enyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-bis(5-phenylpentyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;iridium is C=CCCCCc1cc(B2OC(C)(C)C(C)(C)O2)c(CCCCC=C)cc1B1OC(C)(C)C(C)(C)O1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]ccc(Br)c4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cccc4)nc3)n2)cc1.CC1(C)OB(c2cc(CCCCCc3ccccc3)c(B3OC(C)(C)C(C)(C)O3)cc2CCCCCc2ccccc2)OC1(C)C.CCCCCCCCC1(c2cc(CCCCCC)cc(CCCCCC)c2)c2cc(N(c3ccc(Br)cc3)c3c(C)cc(C)cc3C)ccc2-c2ccc(N(c3ccc(Br)cc3)c3c(C)cc(C)cc3C)cc21.[Ir].

What is the InChIKey of 2-N,7-N-bis(4-bromophenyl)-9-(3,5-dihexylphenyl)-9-octyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[2,5-bis(hex-5-enyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-bis(5-phenylpentyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;iridium?

The InChIKey is PXRHMEFUNBDMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H82Br2N2.C40H56B2O4.C34H32BrN4.C34H33N4.C30H48B2O4.Ir/c1-10-13-16-19-20-23-38-69(56-44-54(24-21-17-14-11-2)43-55(45-56)25-22-18-15-12-3)65-46-61(72(59-30-26-57(70)27-31-59)67-50(6)39-48(4)40-51(67)7)34-36-63(65)64-37-35-62(47-66(64)69)73(60-32-28-58(71)29-33-60)68-52(8)41-49(5)42-53(68)9;1-37(2)38(3,4)44-41(43-37)35-29-34(28-20-12-18-26-32-23-15-10-16-24-32)36(42-45-39(5,6)40(7,8)46-42)30-33(35)27-19-11-17-25-31-21-13-9-14-22-31;1-33(2,3)26-15-10-22(11-16-26)30-37-31(23-12-17-27(18-13-23)34(4,5)6)39-32(38-30)25-14-19-29(36-21-25)24-8-7-9-28(35)20-24;1-33(2,3)27-17-12-24(13-18-27)30-36-31(25-14-19-28(20-15-25)34(4,5)6)38-32(37-30)26-16-21-29(35-22-26)23-10-8-7-9-11-23;1-11-13-15-17-19-23-21-26(32-35-29(7,8)30(9,10)36-32)24(20-18-16-14-12-2)22-25(23)31-33-27(3,4)28(5,6)34-31;/h26-37,39-47H,10-25,38H2,1-9H3;9-10,13-16,21-24,29-30H,11-12,17-20,25-28H2,1-8H3;7,9-21H,1-6H3;7-10,12-22H,1-6H3;11-12,21-22H,1-2,13-20H2,3-10H3;/q;;2*-1;;.

What are the key properties of 2-N,7-N-bis(4-bromophenyl)-9-(3,5-dihexylphenyl)-9-octyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[2,5-bis(hex-5-enyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-bis(5-phenylpentyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;iridium?

2-N,7-N-bis(4-bromophenyl)-9-(3,5-dihexylphenyl)-9-octyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[2,5-bis(hex-5-enyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-bis(5-phenylpentyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;iridium has a molecular weight of 3482.52 g/mol, XLogP of 54.01, 58 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,7-N-bis(4-bromophenyl)-9-(3,5-dihexylphenyl)-9-octyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[2,5-bis(hex-5-enyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-bis(5-phenylpentyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;iridium is sourced from PubChem (CID 161148435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).