1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene

C147H157Br8N7 — CID 157377144

IUPAC1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene
SMILESC=CCCCC1(CCCC=C)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(Br)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(Br)cc3)cc21.CCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)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/C55H62Br2N2.C42H46Br2N2.C27H25Br2N3.C23H24Br2/c1-5-7-9-11-13-15-37-55(38-16-14-12-10-8-6-2)53-39-49(58(45-25-17-41(3)18-26-45)47-29-21-43(56)22-30-47)33-35-51(53)52-36-34-50(40-54(52)55)59(46-27-19-42(4)20-28-46)48-31-23-44(57)24-32-48;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;1-2-3-4-5-6-19-7-9-20(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;1-3-5-7-13-23(14-8-6-4-2)21-15-17(24)9-11-19(21)20-12-10-18(25)16-22(20)23/h17-36,39-40H,5-16,37-38H2,1-4H3;11-26H,1-10H3;7-18H,2-6H2,1H3;3-4,9-12,15-16H,1-2,5-8,13-14H2
InChIKeyBKLJOHJFXDDMHG-UHFFFAOYSA-N
MW2661.15 g/mol
LogP49.23
Rot. Bonds42

About 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene

1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene (PubChem CID 157377144) has the molecular formula C147H157Br8N7 and a molecular weight of 2661.15 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-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene.

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-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene
PubChem CID157377144
Molecular FormulaC147H157Br8N7
Molecular Weight2661.15 g/mol
Exact Mass2651.60
IUPAC Name1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene
SMILESC=CCCCC1(CCCC=C)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(Br)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(Br)cc3)cc21.CCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)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/C55H62Br2N2.C42H46Br2N2.C27H25Br2N3.C23H24Br2/c1-5-7-9-11-13-15-37-55(38-16-14-12-10-8-6-2)53-39-49(58(45-25-17-41(3)18-26-45)47-29-21-43(56)22-30-47)33-35-51(53)52-36-34-50(40-54(52)55)59(46-27-19-42(4)20-28-46)48-31-23-44(57)24-32-48;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;1-2-3-4-5-6-19-7-9-20(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;1-3-5-7-13-23(14-8-6-4-2)21-15-17(24)9-11-19(21)20-12-10-18(25)16-22(20)23/h17-36,39-40H,5-16,37-38H2,1-4H3;11-26H,1-10H3;7-18H,2-6H2,1H3;3-4,9-12,15-16H,1-2,5-8,13-14H2
InChIKeyBKLJOHJFXDDMHG-UHFFFAOYSA-N
XLogP49.23
TPSA51.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds42
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002661.15
LogP ≤ 549.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene with MolForge

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Related Compounds

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58233296
N-(2,5-dimethylphenyl)-25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-N-(3-methylphenyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-11-amine
CID 58233320
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]aniline
CID 58233347
7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58233363
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 58233378
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 58233399
N-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 66598615
7-Bromo-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-10,12-dihydro-10-azaindeno[2,1-b]fluorene
CID 66797951
14-(4,6-Diphenyl-1,3,5-triazin-2-yl)-21,21-dimethylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]
CID 66804996
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-yl]-N,N-diphenylaniline
CID 67690357
N-(2,4-dimethylphenyl)-N-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-2,4-dimethylaniline
CID 68205218
9-Bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 68208547

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-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene?
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-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene (CID 157377144) is 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene.
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-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene?
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-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene is C=CCCCC1(CCCC=C)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(Br)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(Br)cc3)cc21.CCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)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-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene?
The InChIKey is BKLJOHJFXDDMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H62Br2N2.C42H46Br2N2.C27H25Br2N3.C23H24Br2/c1-5-7-9-11-13-15-37-55(38-16-14-12-10-8-6-2)53-39-49(58(45-25-17-41(3)18-26-45)47-29-21-43(56)22-30-47)33-35-51(53)52-36-34-50(40-54(52)55)59(46-27-19-42(4)20-28-46)48-31-23-44(57)24-32-48;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;1-2-3-4-5-6-19-7-9-20(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;1-3-5-7-13-23(14-8-6-4-2)21-15-17(24)9-11-19(21)20-12-10-18(25)16-22(20)23/h17-36,39-40H,5-16,37-38H2,1-4H3;11-26H,1-10H3;7-18H,2-6H2,1H3;3-4,9-12,15-16H,1-2,5-8,13-14H2.
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-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene?
1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene has a molecular weight of 2661.15 g/mol, XLogP of 49.23, 42 rotatable bonds, 0 hydrogen bond donors, and 7 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-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene is sourced from PubChem (CID 157377144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).