2-[9-(8-azidooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;2-[9-(8-bromooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole

C102H138BrN7 — CID 159352214

IUPAC2-[9-(8-azidooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;2-[9-(8-bromooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole
SMILESCCCCCCCCC(CCCCCCCC)n1c2cc(C)ccc2c2ccc(-c3ccc4c5ccc(C)cc5n(CCCCCCCCBr)c4c3)cc21.CCCCCCCCC(CCCCCCCC)n1c2cc(C)ccc2c2ccc(-c3ccc4c5ccc(C)cc5n(CCCCCCCCN=[N+]=[N-])c4c3)cc21
InChIInChI=1S/C51H69BrN2.C51H69N5/c1-5-7-9-11-15-19-23-43(24-20-16-12-10-8-6-2)54-50-36-40(4)26-30-46(50)47-32-28-42(38-51(47)54)41-27-31-45-44-29-25-39(3)35-48(44)53(49(45)37-41)34-22-18-14-13-17-21-33-52;1-5-7-9-11-15-19-23-43(24-20-16-12-10-8-6-2)56-50-36-40(4)26-30-46(50)47-32-28-42(38-51(47)56)41-27-31-45-44-29-25-39(3)35-48(44)55(49(45)37-41)34-22-18-14-13-17-21-33-53-54-52/h25-32,35-38,43H,5-24,33-34H2,1-4H3;25-32,35-38,43H,5-24,33-34H2,1-4H3
InChIKeyLHLUGFQQFSZETR-UHFFFAOYSA-N
MW1542.18 g/mol
LogP33.84
Rot. Bonds49

About 2-[9-(8-azidooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;2-[9-(8-bromooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole

2-[9-(8-azidooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;2-[9-(8-bromooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole (PubChem CID 159352214) has the molecular formula C102H138BrN7 and a molecular weight of 1542.18 g/mol. Its IUPAC name is 2-[9-(8-azidooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;2-[9-(8-bromooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole.

Molecular Properties

Compound Name2-[9-(8-azidooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;2-[9-(8-bromooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole
PubChem CID159352214
Molecular FormulaC102H138BrN7
Molecular Weight1542.18 g/mol
Exact Mass1540.02
IUPAC Name2-[9-(8-azidooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;2-[9-(8-bromooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole
SMILESCCCCCCCCC(CCCCCCCC)n1c2cc(C)ccc2c2ccc(-c3ccc4c5ccc(C)cc5n(CCCCCCCCBr)c4c3)cc21.CCCCCCCCC(CCCCCCCC)n1c2cc(C)ccc2c2ccc(-c3ccc4c5ccc(C)cc5n(CCCCCCCCN=[N+]=[N-])c4c3)cc21
InChIInChI=1S/C51H69BrN2.C51H69N5/c1-5-7-9-11-15-19-23-43(24-20-16-12-10-8-6-2)54-50-36-40(4)26-30-46(50)47-32-28-42(38-51(47)54)41-27-31-45-44-29-25-39(3)35-48(44)53(49(45)37-41)34-22-18-14-13-17-21-33-52;1-5-7-9-11-15-19-23-43(24-20-16-12-10-8-6-2)56-50-36-40(4)26-30-46(50)47-32-28-42(38-51(47)56)41-27-31-45-44-29-25-39(3)35-48(44)55(49(45)37-41)34-22-18-14-13-17-21-33-53-54-52/h25-32,35-38,43H,5-24,33-34H2,1-4H3;25-32,35-38,43H,5-24,33-34H2,1-4H3
InChIKeyLHLUGFQQFSZETR-UHFFFAOYSA-N
XLogP33.84
TPSA68.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds49
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001542.18
LogP ≤ 533.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-[9-(8-azidooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;2-[9-(8-bromooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole with MolForge

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Related Compounds

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CID 129212268
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9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole
CID 141391758
2,7-dibromo-9-tetracontylcarbazole
CID 141357666
2-[5-[2,3-bis(4-ethylphenyl)-8-(5-methylthiophen-2-yl)quinoxalin-5-yl]thiophen-2-yl]-9-heptadecan-9-yl-7-methylcarbazole
CID 58500615
1-[2-(8-azidooctyl)-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)-2-octylbenzene
CID 121461293
9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2,7-dimethyl-9-octylcarbazole
CID 157404035
2,7-bis(3-bromothiophen-2-yl)-9-heptadecan-9-ylcarbazole;3,6-dibromo-2,7-bis(3-bromothiophen-2-yl)-9-heptadecan-9-ylcarbazole
CID 160651573
tributyl-[5-[9-octyl-7-(5-tributylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]stannane
CID 155671046
1-azidotriacontane
CID 71752669
1-azidohexadecane
CID 11230945
5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole
CID 67991343

Frequently Asked Questions

What is the IUPAC name of 2-[9-(8-azidooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;2-[9-(8-bromooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole?
The IUPAC name of 2-[9-(8-azidooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;2-[9-(8-bromooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole (CID 159352214) is 2-[9-(8-azidooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;2-[9-(8-bromooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole.
What is the SMILES notation for 2-[9-(8-azidooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;2-[9-(8-bromooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole?
The canonical SMILES for 2-[9-(8-azidooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;2-[9-(8-bromooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole is CCCCCCCCC(CCCCCCCC)n1c2cc(C)ccc2c2ccc(-c3ccc4c5ccc(C)cc5n(CCCCCCCCBr)c4c3)cc21.CCCCCCCCC(CCCCCCCC)n1c2cc(C)ccc2c2ccc(-c3ccc4c5ccc(C)cc5n(CCCCCCCCN=[N+]=[N-])c4c3)cc21.
What is the InChIKey of 2-[9-(8-azidooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;2-[9-(8-bromooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole?
The InChIKey is LHLUGFQQFSZETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H69BrN2.C51H69N5/c1-5-7-9-11-15-19-23-43(24-20-16-12-10-8-6-2)54-50-36-40(4)26-30-46(50)47-32-28-42(38-51(47)54)41-27-31-45-44-29-25-39(3)35-48(44)53(49(45)37-41)34-22-18-14-13-17-21-33-52;1-5-7-9-11-15-19-23-43(24-20-16-12-10-8-6-2)56-50-36-40(4)26-30-46(50)47-32-28-42(38-51(47)56)41-27-31-45-44-29-25-39(3)35-48(44)55(49(45)37-41)34-22-18-14-13-17-21-33-53-54-52/h25-32,35-38,43H,5-24,33-34H2,1-4H3;25-32,35-38,43H,5-24,33-34H2,1-4H3.
What are the key properties of 2-[9-(8-azidooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;2-[9-(8-bromooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole?
2-[9-(8-azidooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;2-[9-(8-bromooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole has a molecular weight of 1542.18 g/mol, XLogP of 33.84, 49 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(8-azidooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole;2-[9-(8-bromooctyl)-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole is sourced from PubChem (CID 159352214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).