2,7-dibromo-9-tetracontylcarbazole

C52H87Br2N — CID 141357666

IUPAC2,7-dibromo-9-tetracontylcarbazole
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCn1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C52H87Br2N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-44-55-51-45-47(53)40-42-49(51)50-43-41-48(54)46-52(50)55/h40-43,45-46H,2-39,44H2,1H3
InChIKeyARQTUNZBOQAYKL-UHFFFAOYSA-N
MW886.08 g/mol
LogP20.16
Rot. Bonds39

About 2,7-dibromo-9-tetracontylcarbazole

2,7-dibromo-9-tetracontylcarbazole (PubChem CID 141357666) has the molecular formula C52H87Br2N and a molecular weight of 886.08 g/mol. Its IUPAC name is 2,7-dibromo-9-tetracontylcarbazole.

Molecular Properties

Compound Name2,7-dibromo-9-tetracontylcarbazole
PubChem CID141357666
Molecular FormulaC52H87Br2N
Molecular Weight886.08 g/mol
Exact Mass883.52
IUPAC Name2,7-dibromo-9-tetracontylcarbazole
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCn1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C52H87Br2N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-44-55-51-45-47(53)40-42-49(51)50-43-41-48(54)46-52(50)55/h40-43,45-46H,2-39,44H2,1H3
InChIKeyARQTUNZBOQAYKL-UHFFFAOYSA-N
XLogP20.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds39
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.08
LogP ≤ 520.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,7-dibromo-9-propylcarbazole;propane
CID 144652939
2,7-dibromo-9-(3-bromopropyl)carbazole
CID 172552809
3-bromo-6-[(E)-2-(6-bromo-9-hexylcarbazol-3-yl)ethenyl]-9-hexylcarbazole
CID 139088492
7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine
CID 53338588
9-docosylcarbazole
CID 10528568
9-hexadecylcarbazole
CID 4166588
N-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine
CID 134281226
3,8-dibromo-5-(2-octyldodecyl)phenanthridin-6-one
CID 132536074
2,7-dibromo-10-butylacridin-9-one
CID 86036844
benzene;9-octylcarbazole
CID 175067369
9-butyl-2,7-dimethylcarbazole
CID 129212268
1-(6-bromo-9-hexylcarbazol-3-yl)-N-[4-[(6-bromo-9-hexylcarbazol-3-yl)methylideneamino]phenyl]methanimine
CID 101382330

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-tetracontylcarbazole?
The IUPAC name of 2,7-dibromo-9-tetracontylcarbazole (CID 141357666) is 2,7-dibromo-9-tetracontylcarbazole.
What is the SMILES notation for 2,7-dibromo-9-tetracontylcarbazole?
The canonical SMILES for 2,7-dibromo-9-tetracontylcarbazole is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCn1c2cc(Br)ccc2c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9-tetracontylcarbazole?
The InChIKey is ARQTUNZBOQAYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H87Br2N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-44-55-51-45-47(53)40-42-49(51)50-43-41-48(54)46-52(50)55/h40-43,45-46H,2-39,44H2,1H3.
What are the key properties of 2,7-dibromo-9-tetracontylcarbazole?
2,7-dibromo-9-tetracontylcarbazole has a molecular weight of 886.08 g/mol, XLogP of 20.16, 39 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-tetracontylcarbazole is sourced from PubChem (CID 141357666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).