1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2-[9,9-bis(4-octylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2,7-dibromo-9,9-dioctylfluorene

C188H223B2Br8N5O4 — CID 158707017

IUPAC1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2-[9,9-bis(4-octylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2,7-dibromo-9,9-dioctylfluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCc1ccc(C2(c3ccc(CCCCCCCC)cc3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)cc1.CCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.Cc1cc(C(C)(C)C)cc(C)c1N(c1ccc(Br)cc1)c1ccc(N(c2ccc(Br)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1
InChIInChI=1S/C53H72B2O4.C42H46Br2N2.C37H40Br2.C29H40Br2.C27H25Br2N3/c1-11-13-15-17-19-21-23-39-25-29-41(30-26-39)53(42-31-27-40(28-32-42)24-22-20-18-16-14-12-2)47-37-43(54-56-49(3,4)50(5,6)57-54)33-35-45(47)46-36-34-44(38-48(46)53)55-58-51(7,8)52(9,10)59-55;1-27-23-31(41(5,6)7)24-28(2)39(27)45(35-15-11-33(43)12-16-35)37-19-21-38(22-20-37)46(36-17-13-34(44)14-18-36)40-29(3)25-32(26-30(40)4)42(8,9)10;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;1-3-5-7-9-11-13-19-29(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;1-2-3-4-5-6-19-7-9-20(10-8-19)25-30-26(21-11-15-23(28)16-12-21)32-27(31-25)22-13-17-24(29)18-14-22/h25-38H,11-24H2,1-10H3;11-26H,1-10H3;13-26H,3-12H2,1-2H3;15-18,21-22H,3-14,19-20H2,1-2H3;7-18H,2-6H2,1H3
InChIKeyIIFUPIWRHVXOMI-UHFFFAOYSA-N
MW3277.74 g/mol
LogP57.75
Rot. Bonds58

About 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2-[9,9-bis(4-octylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2,7-dibromo-9,9-dioctylfluorene

1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2-[9,9-bis(4-octylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2,7-dibromo-9,9-dioctylfluorene (PubChem CID 158707017) has the molecular formula C188H223B2Br8N5O4 and a molecular weight of 3277.74 g/mol. Its IUPAC name is 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2-[9,9-bis(4-octylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2,7-dibromo-9,9-dioctylfluorene.

Molecular Properties

Compound Name1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2-[9,9-bis(4-octylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2,7-dibromo-9,9-dioctylfluorene
PubChem CID158707017
Molecular FormulaC188H223B2Br8N5O4
Molecular Weight3277.74 g/mol
Exact Mass3268.11
IUPAC Name1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2-[9,9-bis(4-octylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2,7-dibromo-9,9-dioctylfluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCc1ccc(C2(c3ccc(CCCCCCCC)cc3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)cc1.CCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.Cc1cc(C(C)(C)C)cc(C)c1N(c1ccc(Br)cc1)c1ccc(N(c2ccc(Br)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1
InChIInChI=1S/C53H72B2O4.C42H46Br2N2.C37H40Br2.C29H40Br2.C27H25Br2N3/c1-11-13-15-17-19-21-23-39-25-29-41(30-26-39)53(42-31-27-40(28-32-42)24-22-20-18-16-14-12-2)47-37-43(54-56-49(3,4)50(5,6)57-54)33-35-45(47)46-36-34-44(38-48(46)53)55-58-51(7,8)52(9,10)59-55;1-27-23-31(41(5,6)7)24-28(2)39(27)45(35-15-11-33(43)12-16-35)37-19-21-38(22-20-37)46(36-17-13-34(44)14-18-36)40-29(3)25-32(26-30(40)4)42(8,9)10;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;1-3-5-7-9-11-13-19-29(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;1-2-3-4-5-6-19-7-9-20(10-8-19)25-30-26(21-11-15-23(28)16-12-21)32-27(31-25)22-13-17-24(29)18-14-22/h25-38H,11-24H2,1-10H3;11-26H,1-10H3;13-26H,3-12H2,1-2H3;15-18,21-22H,3-14,19-20H2,1-2H3;7-18H,2-6H2,1H3
InChIKeyIIFUPIWRHVXOMI-UHFFFAOYSA-N
XLogP57.75
TPSA82.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds58
Heavy Atoms207
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003277.74
LogP ≤ 557.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2-[9,9-bis(4-octylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2,7-dibromo-9,9-dioctylfluorene with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2-[9,9-bis(4-octylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2,7-dibromo-9,9-dioctylfluorene?
The IUPAC name of 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2-[9,9-bis(4-octylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2,7-dibromo-9,9-dioctylfluorene (CID 158707017) is 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2-[9,9-bis(4-octylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2,7-dibromo-9,9-dioctylfluorene.
What is the SMILES notation for 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2-[9,9-bis(4-octylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2,7-dibromo-9,9-dioctylfluorene?
The canonical SMILES for 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2-[9,9-bis(4-octylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2,7-dibromo-9,9-dioctylfluorene is CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCc1ccc(C2(c3ccc(CCCCCCCC)cc3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)cc1.CCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.Cc1cc(C(C)(C)C)cc(C)c1N(c1ccc(Br)cc1)c1ccc(N(c2ccc(Br)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.
What is the InChIKey of 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2-[9,9-bis(4-octylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2,7-dibromo-9,9-dioctylfluorene?
The InChIKey is IIFUPIWRHVXOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H72B2O4.C42H46Br2N2.C37H40Br2.C29H40Br2.C27H25Br2N3/c1-11-13-15-17-19-21-23-39-25-29-41(30-26-39)53(42-31-27-40(28-32-42)24-22-20-18-16-14-12-2)47-37-43(54-56-49(3,4)50(5,6)57-54)33-35-45(47)46-36-34-44(38-48(46)53)55-58-51(7,8)52(9,10)59-55;1-27-23-31(41(5,6)7)24-28(2)39(27)45(35-15-11-33(43)12-16-35)37-19-21-38(22-20-37)46(36-17-13-34(44)14-18-36)40-29(3)25-32(26-30(40)4)42(8,9)10;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;1-3-5-7-9-11-13-19-29(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;1-2-3-4-5-6-19-7-9-20(10-8-19)25-30-26(21-11-15-23(28)16-12-21)32-27(31-25)22-13-17-24(29)18-14-22/h25-38H,11-24H2,1-10H3;11-26H,1-10H3;13-26H,3-12H2,1-2H3;15-18,21-22H,3-14,19-20H2,1-2H3;7-18H,2-6H2,1H3.
What are the key properties of 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2-[9,9-bis(4-octylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2,7-dibromo-9,9-dioctylfluorene?
1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2-[9,9-bis(4-octylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2,7-dibromo-9,9-dioctylfluorene has a molecular weight of 3277.74 g/mol, XLogP of 57.75, 58 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2-[9,9-bis(4-octylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2,7-dibromo-9,9-dioctylfluorene is sourced from PubChem (CID 158707017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).