9H-carbazole;3,6-diethynyl-9-hexadecylcarbazole;9-hexadecylcarbazole;9-hexadecyl-3,6-diiodocarbazole;2-[9-hexadecyl-6-(2-trimethylsilylethynyl)carbazol-3-yl]ethynyl-trimethylsilane

C138H187I2N5Si2 — CID 159472664

IUPAC9H-carbazole;3,6-diethynyl-9-hexadecylcarbazole;9-hexadecylcarbazole;9-hexadecyl-3,6-diiodocarbazole;2-[9-hexadecyl-6-(2-trimethylsilylethynyl)carbazol-3-yl]ethynyl-trimethylsilane
SMILESC#Cc1ccc2c(c1)c1cc(C#C)ccc1n2CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCn1c2ccc(C#C[Si](C)(C)C)cc2c2cc(C#C[Si](C)(C)C)ccc21.CCCCCCCCCCCCCCCCn1c2ccc(I)cc2c2cc(I)ccc21.CCCCCCCCCCCCCCCCn1c2ccccc2c2ccccc21.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C38H57NSi2.C32H41N.C28H39I2N.C28H41N.C12H9N/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-39-37-24-22-33(26-29-40(2,3)4)31-35(37)36-32-34(23-25-38(36)39)27-30-41(5,6)7;1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-31-22-20-27(5-2)25-29(31)30-26-28(6-3)21-23-32(30)33;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-31-27-18-16-23(29)21-25(27)26-22-24(30)17-19-28(26)31;1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-29-27-22-17-15-20-25(27)26-21-16-18-23-28(26)29;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h22-25,31-32H,8-21,28H2,1-7H3;2-3,20-23,25-26H,4,7-19,24H2,1H3;16-19,21-22H,2-15,20H2,1H3;15-18,20-23H,2-14,19,24H2,1H3;1-8,13H
InChIKeyLVZNPHHUGGLDPT-UHFFFAOYSA-N
MW2226.03 g/mol
LogP44.05
Rot. Bonds60

About 9H-carbazole;3,6-diethynyl-9-hexadecylcarbazole;9-hexadecylcarbazole;9-hexadecyl-3,6-diiodocarbazole;2-[9-hexadecyl-6-(2-trimethylsilylethynyl)carbazol-3-yl]ethynyl-trimethylsilane

9H-carbazole;3,6-diethynyl-9-hexadecylcarbazole;9-hexadecylcarbazole;9-hexadecyl-3,6-diiodocarbazole;2-[9-hexadecyl-6-(2-trimethylsilylethynyl)carbazol-3-yl]ethynyl-trimethylsilane (PubChem CID 159472664) has the molecular formula C138H187I2N5Si2 and a molecular weight of 2226.03 g/mol. Its IUPAC name is 9H-carbazole;3,6-diethynyl-9-hexadecylcarbazole;9-hexadecylcarbazole;9-hexadecyl-3,6-diiodocarbazole;2-[9-hexadecyl-6-(2-trimethylsilylethynyl)carbazol-3-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name9H-carbazole;3,6-diethynyl-9-hexadecylcarbazole;9-hexadecylcarbazole;9-hexadecyl-3,6-diiodocarbazole;2-[9-hexadecyl-6-(2-trimethylsilylethynyl)carbazol-3-yl]ethynyl-trimethylsilane
PubChem CID159472664
Molecular FormulaC138H187I2N5Si2
Molecular Weight2226.03 g/mol
Exact Mass2224.24
IUPAC Name9H-carbazole;3,6-diethynyl-9-hexadecylcarbazole;9-hexadecylcarbazole;9-hexadecyl-3,6-diiodocarbazole;2-[9-hexadecyl-6-(2-trimethylsilylethynyl)carbazol-3-yl]ethynyl-trimethylsilane
SMILESC#Cc1ccc2c(c1)c1cc(C#C)ccc1n2CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCn1c2ccc(C#C[Si](C)(C)C)cc2c2cc(C#C[Si](C)(C)C)ccc21.CCCCCCCCCCCCCCCCn1c2ccc(I)cc2c2cc(I)ccc21.CCCCCCCCCCCCCCCCn1c2ccccc2c2ccccc21.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C38H57NSi2.C32H41N.C28H39I2N.C28H41N.C12H9N/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-39-37-24-22-33(26-29-40(2,3)4)31-35(37)36-32-34(23-25-38(36)39)27-30-41(5,6)7;1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-31-22-20-27(5-2)25-29(31)30-26-28(6-3)21-23-32(30)33;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-31-27-18-16-23(29)21-25(27)26-22-24(30)17-19-28(26)31;1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-29-27-22-17-15-20-25(27)26-21-16-18-23-28(26)29;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h22-25,31-32H,8-21,28H2,1-7H3;2-3,20-23,25-26H,4,7-19,24H2,1H3;16-19,21-22H,2-15,20H2,1H3;15-18,20-23H,2-14,19,24H2,1H3;1-8,13H
InChIKeyLVZNPHHUGGLDPT-UHFFFAOYSA-N
XLogP44.05
TPSA35.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds60
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002226.03
LogP ≤ 544.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9H-carbazole;3,6-diethynyl-9-hexadecylcarbazole;9-hexadecylcarbazole;9-hexadecyl-3,6-diiodocarbazole;2-[9-hexadecyl-6-(2-trimethylsilylethynyl)carbazol-3-yl]ethynyl-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;3,6-diethynyl-9-hexadecylcarbazole;9-hexadecylcarbazole;9-hexadecyl-3,6-diiodocarbazole;2-[9-hexadecyl-6-(2-trimethylsilylethynyl)carbazol-3-yl]ethynyl-trimethylsilane?
The IUPAC name of 9H-carbazole;3,6-diethynyl-9-hexadecylcarbazole;9-hexadecylcarbazole;9-hexadecyl-3,6-diiodocarbazole;2-[9-hexadecyl-6-(2-trimethylsilylethynyl)carbazol-3-yl]ethynyl-trimethylsilane (CID 159472664) is 9H-carbazole;3,6-diethynyl-9-hexadecylcarbazole;9-hexadecylcarbazole;9-hexadecyl-3,6-diiodocarbazole;2-[9-hexadecyl-6-(2-trimethylsilylethynyl)carbazol-3-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 9H-carbazole;3,6-diethynyl-9-hexadecylcarbazole;9-hexadecylcarbazole;9-hexadecyl-3,6-diiodocarbazole;2-[9-hexadecyl-6-(2-trimethylsilylethynyl)carbazol-3-yl]ethynyl-trimethylsilane?
The canonical SMILES for 9H-carbazole;3,6-diethynyl-9-hexadecylcarbazole;9-hexadecylcarbazole;9-hexadecyl-3,6-diiodocarbazole;2-[9-hexadecyl-6-(2-trimethylsilylethynyl)carbazol-3-yl]ethynyl-trimethylsilane is C#Cc1ccc2c(c1)c1cc(C#C)ccc1n2CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCn1c2ccc(C#C[Si](C)(C)C)cc2c2cc(C#C[Si](C)(C)C)ccc21.CCCCCCCCCCCCCCCCn1c2ccc(I)cc2c2cc(I)ccc21.CCCCCCCCCCCCCCCCn1c2ccccc2c2ccccc21.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole;3,6-diethynyl-9-hexadecylcarbazole;9-hexadecylcarbazole;9-hexadecyl-3,6-diiodocarbazole;2-[9-hexadecyl-6-(2-trimethylsilylethynyl)carbazol-3-yl]ethynyl-trimethylsilane?
The InChIKey is LVZNPHHUGGLDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H57NSi2.C32H41N.C28H39I2N.C28H41N.C12H9N/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-39-37-24-22-33(26-29-40(2,3)4)31-35(37)36-32-34(23-25-38(36)39)27-30-41(5,6)7;1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-31-22-20-27(5-2)25-29(31)30-26-28(6-3)21-23-32(30)33;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-31-27-18-16-23(29)21-25(27)26-22-24(30)17-19-28(26)31;1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-29-27-22-17-15-20-25(27)26-21-16-18-23-28(26)29;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h22-25,31-32H,8-21,28H2,1-7H3;2-3,20-23,25-26H,4,7-19,24H2,1H3;16-19,21-22H,2-15,20H2,1H3;15-18,20-23H,2-14,19,24H2,1H3;1-8,13H.
What are the key properties of 9H-carbazole;3,6-diethynyl-9-hexadecylcarbazole;9-hexadecylcarbazole;9-hexadecyl-3,6-diiodocarbazole;2-[9-hexadecyl-6-(2-trimethylsilylethynyl)carbazol-3-yl]ethynyl-trimethylsilane?
9H-carbazole;3,6-diethynyl-9-hexadecylcarbazole;9-hexadecylcarbazole;9-hexadecyl-3,6-diiodocarbazole;2-[9-hexadecyl-6-(2-trimethylsilylethynyl)carbazol-3-yl]ethynyl-trimethylsilane has a molecular weight of 2226.03 g/mol, XLogP of 44.05, 60 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;3,6-diethynyl-9-hexadecylcarbazole;9-hexadecylcarbazole;9-hexadecyl-3,6-diiodocarbazole;2-[9-hexadecyl-6-(2-trimethylsilylethynyl)carbazol-3-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 159472664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).