4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane;2-[2,5-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C165H203B4Br6N5O8 — CID 159646722

About 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane;2-[2,5-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane;2-[2,5-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 159646722) has the molecular formula C165H203B4Br6N5O8 and a molecular weight of 2907.14 g/mol. Its IUPAC name is 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane;2-[2,5-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane;2-[2,5-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 159646722
• Molecular Formula: C165H203B4Br6N5O8
• Molecular Weight: 2907.14 g/mol
• Exact Mass: 2900.11
• IUPAC Name: 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane;2-[2,5-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)c(C(C)C)cc1B1OC(C)(C)C(C)(C)O1.CCCCCCCCC1(CCCCCCCC)c2cc(B3OCCO3)ccc2-c2ccc(B3OCCO3)cc21.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)cc1
• InChI: InChI=1S/C38H38Br2N2.C37H40Br2.C33H48B2O4.C33H37Br2N3.C24H40B2O4/c1-3-5-7-29-9-17-33(18-10-29)41(34-19-11-30(12-20-34)8-6-4-2)37-25-27-38(28-26-37)42(35-21-13-31(39)14-22-35)36-23-15-32(40)16-24-36;1-3-5-7-9-11-27-13-17-29(18-14-27)37(30-19-15-28(16-20-30)12-10-8-6-4-2)35-25-31(38)21-23-33(35)34-24-22-32(39)26-36(34)37;1-3-5-7-9-11-13-19-33(20-14-12-10-8-6-4-2)31-25-27(34-36-21-22-37-34)15-17-29(31)30-18-16-28(26-32(30)33)35-38-23-24-39-35;1-2-3-4-5-6-7-8-9-10-11-12-25-13-15-26(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;1-15(2)17-13-20(26-29-23(9,10)24(11,12)30-26)18(16(3)4)14-19(17)25-27-21(5,6)22(7,8)28-25/h9-28H,3-8H2,1-2H3;13-26H,3-12H2,1-2H3;15-18,25-26H,3-14,19-24H2,1-2H3;13-24H,2-12H2,1H3;13-16H,1-12H3
• InChIKey: MRAXVADVZGYQIQ-UHFFFAOYSA-N
• XLogP: 46.99
• TPSA: 118.99 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 58
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2907.14
LogP ≤ 5	46.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane;2-[2,5-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane;2-[2,5-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 159646722) is 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane;2-[2,5-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane;2-[2,5-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane;2-[2,5-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)c(C(C)C)cc1B1OC(C)(C)C(C)(C)O1.CCCCCCCCC1(CCCCCCCC)c2cc(B3OCCO3)ccc2-c2ccc(B3OCCO3)cc21.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)cc1.

What is the InChIKey of 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane;2-[2,5-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is MRAXVADVZGYQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38Br2N2.C37H40Br2.C33H48B2O4.C33H37Br2N3.C24H40B2O4/c1-3-5-7-29-9-17-33(18-10-29)41(34-19-11-30(12-20-34)8-6-4-2)37-25-27-38(28-26-37)42(35-21-13-31(39)14-22-35)36-23-15-32(40)16-24-36;1-3-5-7-9-11-27-13-17-29(18-14-27)37(30-19-15-28(16-20-30)12-10-8-6-4-2)35-25-31(38)21-23-33(35)34-24-22-32(39)26-36(34)37;1-3-5-7-9-11-13-19-33(20-14-12-10-8-6-4-2)31-25-27(34-36-21-22-37-34)15-17-29(31)30-18-16-28(26-32(30)33)35-38-23-24-39-35;1-2-3-4-5-6-7-8-9-10-11-12-25-13-15-26(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;1-15(2)17-13-20(26-29-23(9,10)24(11,12)30-26)18(16(3)4)14-19(17)25-27-21(5,6)22(7,8)28-25/h9-28H,3-8H2,1-2H3;13-26H,3-12H2,1-2H3;15-18,25-26H,3-14,19-24H2,1-2H3;13-24H,2-12H2,1H3;13-16H,1-12H3.

What are the key properties of 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane;2-[2,5-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane;2-[2,5-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 2907.14 g/mol, XLogP of 46.99, 58 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane;2-[2,5-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 159646722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).