N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;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-[9,9-bis(3-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,11-dibromo-16,19-diheptylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene

C174H200B2Br8N6O4 — CID 159874163

IUPACN,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;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-[9,9-bis(3-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,11-dibromo-16,19-diheptylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene
SMILESBrc1ccc(N(c2ccc(Br)cc2)c2ccc3c(c2)CC3)cc1.CCCCCCCC1CC23CC(CCCCCCC)CC2(C1)c1cc(Br)ccc1-c1ccc(Br)cc13.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.CCCCCCc1cccc(C2(c3cccc(CCCCCC)c3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)c1.CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C49H64B2O4.C38H38Br2N2.C34H46Br2.C33H37Br2N3.C20H15Br2N/c1-11-13-15-17-21-35-23-19-25-37(31-35)49(38-26-20-24-36(32-38)22-18-16-14-12-2)43-33-39(50-52-45(3,4)46(5,6)53-50)27-29-41(43)42-30-28-40(34-44(42)49)51-54-47(7,8)48(9,10)55-51;1-3-5-7-29-9-17-33(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;1-3-5-7-9-11-13-25-21-33-23-26(14-12-10-8-6-4-2)24-34(33,22-25)32-20-28(36)16-18-30(32)29-17-15-27(35)19-31(29)33;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;21-16-4-9-18(10-5-16)23(19-11-6-17(22)7-12-19)20-8-3-14-1-2-15(14)13-20/h19-20,23-34H,11-18,21-22H2,1-10H3;9-28H,3-8H2,1-2H3;15-20,25-26H,3-14,21-24H2,1-2H3;13-24H,2-12H2,1H3;3-13H,1-2H2
InChIKeyNSRNHDKTQAHQIE-UHFFFAOYSA-N
MW3100.41 g/mol
LogP53.28
Rot. Bonds55

About N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;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-[9,9-bis(3-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,11-dibromo-16,19-diheptylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene

N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;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-[9,9-bis(3-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,11-dibromo-16,19-diheptylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene (PubChem CID 159874163) has the molecular formula C174H200B2Br8N6O4 and a molecular weight of 3100.41 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;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-[9,9-bis(3-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,11-dibromo-16,19-diheptylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;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-[9,9-bis(3-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,11-dibromo-16,19-diheptylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene
PubChem CID159874163
Molecular FormulaC174H200B2Br8N6O4
Molecular Weight3100.41 g/mol
Exact Mass3090.93
IUPAC NameN,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;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-[9,9-bis(3-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,11-dibromo-16,19-diheptylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene
SMILESBrc1ccc(N(c2ccc(Br)cc2)c2ccc3c(c2)CC3)cc1.CCCCCCCC1CC23CC(CCCCCCC)CC2(C1)c1cc(Br)ccc1-c1ccc(Br)cc13.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.CCCCCCc1cccc(C2(c3cccc(CCCCCC)c3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)c1.CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C49H64B2O4.C38H38Br2N2.C34H46Br2.C33H37Br2N3.C20H15Br2N/c1-11-13-15-17-21-35-23-19-25-37(31-35)49(38-26-20-24-36(32-38)22-18-16-14-12-2)43-33-39(50-52-45(3,4)46(5,6)53-50)27-29-41(43)42-30-28-40(34-44(42)49)51-54-47(7,8)48(9,10)55-51;1-3-5-7-29-9-17-33(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;1-3-5-7-9-11-13-25-21-33-23-26(14-12-10-8-6-4-2)24-34(33,22-25)32-20-28(36)16-18-30(32)29-17-15-27(35)19-31(29)33;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;21-16-4-9-18(10-5-16)23(19-11-6-17(22)7-12-19)20-8-3-14-1-2-15(14)13-20/h19-20,23-34H,11-18,21-22H2,1-10H3;9-28H,3-8H2,1-2H3;15-20,25-26H,3-14,21-24H2,1-2H3;13-24H,2-12H2,1H3;3-13H,1-2H2
InChIKeyNSRNHDKTQAHQIE-UHFFFAOYSA-N
XLogP53.28
TPSA85.31 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds55
Heavy Atoms194
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003100.41
LogP ≤ 553.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;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-[9,9-bis(3-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,11-dibromo-16,19-diheptylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene with MolForge

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Related Compounds

9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;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-[9,9-bis(3,5-dihexylphenyl)-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-[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-dioctylfluorene
CID 157107812
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-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 157123226
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
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
2-N,7-N-bis(4-bromophenyl)-9-(3,5-dimethylphenyl)-9-methyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;N-[4-[4-(4-bromo-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-(4-bromophenyl)-4-tert-butyl-2,6-dimethylaniline;2-[3,6-dibutyl-9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 158030407
2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane
CID 158272157
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
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-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 158736197
N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 159383096
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;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-[9,9-bis(3-hexylphenyl)-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-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 159414649
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
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-dodecylphenyl)-1,3,5-triazine;2-[9,9-bis(4-hexylphenyl)-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;2-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 159739544

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;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-[9,9-bis(3-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,11-dibromo-16,19-diheptylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene?
The IUPAC name of N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;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-[9,9-bis(3-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,11-dibromo-16,19-diheptylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene (CID 159874163) is N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;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-[9,9-bis(3-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,11-dibromo-16,19-diheptylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene.
What is the SMILES notation for N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;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-[9,9-bis(3-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,11-dibromo-16,19-diheptylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene?
The canonical SMILES for N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;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-[9,9-bis(3-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,11-dibromo-16,19-diheptylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene is Brc1ccc(N(c2ccc(Br)cc2)c2ccc3c(c2)CC3)cc1.CCCCCCCC1CC23CC(CCCCCCC)CC2(C1)c1cc(Br)ccc1-c1ccc(Br)cc13.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.CCCCCCc1cccc(C2(c3cccc(CCCCCC)c3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)c1.CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;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-[9,9-bis(3-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,11-dibromo-16,19-diheptylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene?
The InChIKey is NSRNHDKTQAHQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H64B2O4.C38H38Br2N2.C34H46Br2.C33H37Br2N3.C20H15Br2N/c1-11-13-15-17-21-35-23-19-25-37(31-35)49(38-26-20-24-36(32-38)22-18-16-14-12-2)43-33-39(50-52-45(3,4)46(5,6)53-50)27-29-41(43)42-30-28-40(34-44(42)49)51-54-47(7,8)48(9,10)55-51;1-3-5-7-29-9-17-33(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;1-3-5-7-9-11-13-25-21-33-23-26(14-12-10-8-6-4-2)24-34(33,22-25)32-20-28(36)16-18-30(32)29-17-15-27(35)19-31(29)33;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;21-16-4-9-18(10-5-16)23(19-11-6-17(22)7-12-19)20-8-3-14-1-2-15(14)13-20/h19-20,23-34H,11-18,21-22H2,1-10H3;9-28H,3-8H2,1-2H3;15-20,25-26H,3-14,21-24H2,1-2H3;13-24H,2-12H2,1H3;3-13H,1-2H2.
What are the key properties of N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;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-[9,9-bis(3-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,11-dibromo-16,19-diheptylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene?
N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;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-[9,9-bis(3-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,11-dibromo-16,19-diheptylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene has a molecular weight of 3100.41 g/mol, XLogP of 53.28, 55 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;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-[9,9-bis(3-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,11-dibromo-16,19-diheptylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene is sourced from PubChem (CID 159874163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).