3,6-dibromo-9-(6-carbazol-9-ylhexyl)carbazole

C30H26Br2N2 — CID 51371002

IUPAC3,6-dibromo-9-(6-carbazol-9-ylhexyl)carbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2CCCCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C30H26Br2N2/c31-21-13-15-29-25(19-21)26-20-22(32)14-16-30(26)34(29)18-8-2-1-7-17-33-27-11-5-3-9-23(27)24-10-4-6-12-28(24)33/h3-6,9-16,19-20H,1-2,7-8,17-18H2
InChIKeyAOEDIXPNAQCWAH-UHFFFAOYSA-N
MW574.36 g/mol
LogP9.69
Rot. Bonds7

About 3,6-dibromo-9-(6-carbazol-9-ylhexyl)carbazole

3,6-dibromo-9-(6-carbazol-9-ylhexyl)carbazole (PubChem CID 51371002) has the molecular formula C30H26Br2N2 and a molecular weight of 574.36 g/mol. Its IUPAC name is 3,6-dibromo-9-(6-carbazol-9-ylhexyl)carbazole.

Molecular Properties

Compound Name3,6-dibromo-9-(6-carbazol-9-ylhexyl)carbazole
PubChem CID51371002
Molecular FormulaC30H26Br2N2
Molecular Weight574.36 g/mol
Exact Mass572.05
IUPAC Name3,6-dibromo-9-(6-carbazol-9-ylhexyl)carbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2CCCCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C30H26Br2N2/c31-21-13-15-29-25(19-21)26-20-22(32)14-16-30(26)34(29)18-8-2-1-7-17-33-27-11-5-3-9-23(27)24-10-4-6-12-28(24)33/h3-6,9-16,19-20H,1-2,7-8,17-18H2
InChIKeyAOEDIXPNAQCWAH-UHFFFAOYSA-N
XLogP9.69
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.36
LogP ≤ 59.69
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

1-(cyclohexylamino)-3-(3,6-dibromo-9H-carbazol-9-yl)propan-2-ol
CID 3125888
3,6-Dibromo-alpha-((dimethylamino)methyl)-9H-carbazole-9-ethanol
CID 2775510
(S)-wiskostatin
CID 448668
5-bromo-2-(6-bromo-1H-indol-2-yl)-1-methylindole
CID 76321403
9-(9H-Carbazol-9-ylmethyl)-9H-carbazole
CID 231656
N-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 2840380
3,6-Dibromo-alpha-[(phenylamino)methyl]-9H-carbazole-9-ethanol
CID 2836187
1-(3,6-Dibromo-carbazol-9-yl)-3-phenethylamino-propan-2-ol
CID 2854573
1-Benzyl-5-Bromo-1H-Indole
CID 285756
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-bromobutyl)-9H-carbazole
CID 13906771

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-(6-carbazol-9-ylhexyl)carbazole?
The IUPAC name of 3,6-dibromo-9-(6-carbazol-9-ylhexyl)carbazole (CID 51371002) is 3,6-dibromo-9-(6-carbazol-9-ylhexyl)carbazole.
What is the SMILES notation for 3,6-dibromo-9-(6-carbazol-9-ylhexyl)carbazole?
The canonical SMILES for 3,6-dibromo-9-(6-carbazol-9-ylhexyl)carbazole is Brc1ccc2c(c1)c1cc(Br)ccc1n2CCCCCCn1c2ccccc2c2ccccc21.
What is the InChIKey of 3,6-dibromo-9-(6-carbazol-9-ylhexyl)carbazole?
The InChIKey is AOEDIXPNAQCWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Br2N2/c31-21-13-15-29-25(19-21)26-20-22(32)14-16-30(26)34(29)18-8-2-1-7-17-33-27-11-5-3-9-23(27)24-10-4-6-12-28(24)33/h3-6,9-16,19-20H,1-2,7-8,17-18H2.
What are the key properties of 3,6-dibromo-9-(6-carbazol-9-ylhexyl)carbazole?
3,6-dibromo-9-(6-carbazol-9-ylhexyl)carbazole has a molecular weight of 574.36 g/mol, XLogP of 9.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-(6-carbazol-9-ylhexyl)carbazole is sourced from PubChem (CID 51371002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).