3-bromo-9-hexyl-6-(9-hexylcarbazol-3-yl)carbazole

C36H39BrN2 — CID 135010448

IUPAC3-bromo-9-hexyl-6-(9-hexylcarbazol-3-yl)carbazole
SMILESCCCCCCn1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(Br)ccc3n4CCCCCC)ccc21
InChIInChI=1S/C36H39BrN2/c1-3-5-7-11-21-38-33-14-10-9-13-29(33)30-23-26(15-18-34(30)38)27-16-19-35-31(24-27)32-25-28(37)17-20-36(32)39(35)22-12-8-6-4-2/h9-10,13-20,23-25H,3-8,11-12,21-22H2,1-2H3
InChIKeyAAIFJDZZPMQNHL-UHFFFAOYSA-N
MW579.63 g/mol
LogP11.49
Rot. Bonds11

About 3-bromo-9-hexyl-6-(9-hexylcarbazol-3-yl)carbazole

3-bromo-9-hexyl-6-(9-hexylcarbazol-3-yl)carbazole (PubChem CID 135010448) has the molecular formula C36H39BrN2 and a molecular weight of 579.63 g/mol. Its IUPAC name is 3-bromo-9-hexyl-6-(9-hexylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-bromo-9-hexyl-6-(9-hexylcarbazol-3-yl)carbazole
PubChem CID135010448
Molecular FormulaC36H39BrN2
Molecular Weight579.63 g/mol
Exact Mass578.23
IUPAC Name3-bromo-9-hexyl-6-(9-hexylcarbazol-3-yl)carbazole
SMILESCCCCCCn1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(Br)ccc3n4CCCCCC)ccc21
InChIInChI=1S/C36H39BrN2/c1-3-5-7-11-21-38-33-14-10-9-13-29(33)30-23-26(15-18-34(30)38)27-16-19-35-31(24-27)32-25-28(37)17-20-36(32)39(35)22-12-8-6-4-2/h9-10,13-20,23-25H,3-8,11-12,21-22H2,1-2H3
InChIKeyAAIFJDZZPMQNHL-UHFFFAOYSA-N
XLogP11.49
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.63
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-Dibromo-9-ethylcarbazole
CID 631855
4-Benzyl-12-bromo-1,4-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-9(16),10,12,14-tetraene
CID 2843443
9-(4-Bromophenyl)carbazole
CID 22361390
3-{[4-(4-bromobenzyl)piperazin-1-yl]methyl}-9-ethyl-9H-carbazole
CID 1745029
3,6-Dibromo-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoropropyl]carbazole
CID 66742072
9-Benzyl-3-bromo-9H-carbazole
CID 4379666
3-Bromo-9-ethylcarbazole
CID 621080
3,6-Dibromo-9-vinyl-9H-carbazole
CID 631725
3-Bromo-9-vinyl-9H-carbazole
CID 2223688
3,6-Dibromo-9-(4-bromophenyl)carbazole
CID 11059889
3-Bromo-9-phenylcarbazole
CID 18942624
3-Bromo-9-hexyl-9H-carbazole
CID 71354044

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-hexyl-6-(9-hexylcarbazol-3-yl)carbazole?
The IUPAC name of 3-bromo-9-hexyl-6-(9-hexylcarbazol-3-yl)carbazole (CID 135010448) is 3-bromo-9-hexyl-6-(9-hexylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-bromo-9-hexyl-6-(9-hexylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-bromo-9-hexyl-6-(9-hexylcarbazol-3-yl)carbazole is CCCCCCn1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(Br)ccc3n4CCCCCC)ccc21.
What is the InChIKey of 3-bromo-9-hexyl-6-(9-hexylcarbazol-3-yl)carbazole?
The InChIKey is AAIFJDZZPMQNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39BrN2/c1-3-5-7-11-21-38-33-14-10-9-13-29(33)30-23-26(15-18-34(30)38)27-16-19-35-31(24-27)32-25-28(37)17-20-36(32)39(35)22-12-8-6-4-2/h9-10,13-20,23-25H,3-8,11-12,21-22H2,1-2H3.
What are the key properties of 3-bromo-9-hexyl-6-(9-hexylcarbazol-3-yl)carbazole?
3-bromo-9-hexyl-6-(9-hexylcarbazol-3-yl)carbazole has a molecular weight of 579.63 g/mol, XLogP of 11.49, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-hexyl-6-(9-hexylcarbazol-3-yl)carbazole is sourced from PubChem (CID 135010448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).