9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene;1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine

C121H117Br10N5 — CID 157200028

About 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene;1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine

9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene;1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine (PubChem CID 157200028) has the molecular formula C121H117Br10N5 and a molecular weight of 2440.34 g/mol. Its IUPAC name is 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene;1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine.

Molecular Properties

• Compound Name: 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene;1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine
• PubChem CID: 157200028
• Molecular Formula: C121H117Br10N5
• Molecular Weight: 2440.34 g/mol
• Exact Mass: 2429.11
• IUPAC Name: 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene;1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine
• SMILES: Brc1ccc(N(c2ccc(Br)cc2)c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)cc1.Brc1ccc2c(c1)C(c1ccc3c(c1)CC3)(c1ccc3c(c1)CC3)c1cc(Br)ccc1-2.CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1
• InChI: InChI=1S/C33H37Br2N3.C30H20Br4N2.C29H20Br2.C29H40Br2/c1-2-3-4-5-6-7-8-9-10-11-12-25-13-15-26(16-14-25)31-36-32(27-17-21-29(34)22-18-27)38-33(37-31)28-19-23-30(35)24-20-28;31-21-1-9-25(10-2-21)35(26-11-3-22(32)4-12-26)29-17-19-30(20-18-29)36(27-13-5-23(33)6-14-27)28-15-7-24(34)8-16-28;30-23-9-11-25-26-12-10-24(31)16-28(26)29(27(25)15-23,21-7-5-17-1-3-19(17)13-21)22-8-6-18-2-4-20(18)14-22;1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29/h13-24H,2-12H2,1H3;1-20H;5-16H,1-4H2;15-18,21-22H,3-14,19-20H2,1-2H3
• InChIKey: AQRPUOOBJMSKBO-UHFFFAOYSA-N
• XLogP: 41.29
• TPSA: 45.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 36
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2440.34
LogP ≤ 5	41.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene;1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine?

The IUPAC name of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene;1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine (CID 157200028) is 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene;1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine.

What is the SMILES notation for 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene;1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine?

The canonical SMILES for 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene;1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine is Brc1ccc(N(c2ccc(Br)cc2)c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)cc1.Brc1ccc2c(c1)C(c1ccc3c(c1)CC3)(c1ccc3c(c1)CC3)c1cc(Br)ccc1-2.CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.

What is the InChIKey of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene;1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine?

The InChIKey is AQRPUOOBJMSKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37Br2N3.C30H20Br4N2.C29H20Br2.C29H40Br2/c1-2-3-4-5-6-7-8-9-10-11-12-25-13-15-26(16-14-25)31-36-32(27-17-21-29(34)22-18-27)38-33(37-31)28-19-23-30(35)24-20-28;31-21-1-9-25(10-2-21)35(26-11-3-22(32)4-12-26)29-17-19-30(20-18-29)36(27-13-5-23(33)6-14-27)28-15-7-24(34)8-16-28;30-23-9-11-25-26-12-10-24(31)16-28(26)29(27(25)15-23,21-7-5-17-1-3-19(17)13-21)22-8-6-18-2-4-20(18)14-22;1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29/h13-24H,2-12H2,1H3;1-20H;5-16H,1-4H2;15-18,21-22H,3-14,19-20H2,1-2H3.

What are the key properties of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene;1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine?

9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene;1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine has a molecular weight of 2440.34 g/mol, XLogP of 41.29, 36 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene;1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine is sourced from PubChem (CID 157200028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).