3,6-dibromo-9-butylcarbazole-2,7-dicarbaldehyde

C18H15Br2NO2 — CID 122393793

IUPAC3,6-dibromo-9-butylcarbazole-2,7-dicarbaldehyde
SMILESCCCCn1c2cc(C=O)c(Br)cc2c2cc(Br)c(C=O)cc21
InChIInChI=1S/C18H15Br2NO2/c1-2-3-4-21-17-5-11(9-22)15(19)7-13(17)14-8-16(20)12(10-23)6-18(14)21/h5-10H,2-4H2,1H3
InChIKeyKXHCQDNYNLRVKC-UHFFFAOYSA-N
MW437.13 g/mol
LogP5.74
Rot. Bonds5

About 3,6-dibromo-9-butylcarbazole-2,7-dicarbaldehyde

3,6-dibromo-9-butylcarbazole-2,7-dicarbaldehyde (PubChem CID 122393793) has the molecular formula C18H15Br2NO2 and a molecular weight of 437.13 g/mol. Its IUPAC name is 3,6-dibromo-9-butylcarbazole-2,7-dicarbaldehyde.

Molecular Properties

Compound Name3,6-dibromo-9-butylcarbazole-2,7-dicarbaldehyde
PubChem CID122393793
Molecular FormulaC18H15Br2NO2
Molecular Weight437.13 g/mol
Exact Mass434.95
IUPAC Name3,6-dibromo-9-butylcarbazole-2,7-dicarbaldehyde
SMILESCCCCn1c2cc(C=O)c(Br)cc2c2cc(Br)c(C=O)cc21
InChIInChI=1S/C18H15Br2NO2/c1-2-3-4-21-17-5-11(9-22)15(19)7-13(17)14-8-16(20)12(10-23)6-18(14)21/h5-10H,2-4H2,1H3
InChIKeyKXHCQDNYNLRVKC-UHFFFAOYSA-N
XLogP5.74
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.13
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-((4-Bromophenyl)methyl)-1H-indole-3-carboxaldehyde
CID 699438
2-(2-bromophenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl)ethanone
CID 44397336
4-[(8-bromo-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide
CID 50898589
9-Methyl-9H-carbazole-2-carbaldehyde
CID 3152662
1-(3-bromobenzyl)-1H-indole-3-carbaldehyde
CID 3293897
5-bromo-1-methyl-1H-indole-3-carbaldehyde
CID 778451
1-[(3,4-Dibromophenyl)methyl]indole-3-carbaldehyde
CID 52952572
(E)-1-(6-acetyl-9-octylcarbazol-3-yl)-3-(2-bromophenyl)prop-2-en-1-one
CID 162658638
2-Bromo-1-methylindole-3-carboxaldehyde
CID 329917
2,5,6-Tribromo-1-methylindole-3-carbaldehyde
CID 21773812
(E)-1-(6-acetyl-9-octylcarbazol-3-yl)-3-(3-bromophenyl)prop-2-en-1-one
CID 162657012
2,5-Dibromo-1-methylindole-3-carbaldehyde
CID 162661614

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-butylcarbazole-2,7-dicarbaldehyde?
The IUPAC name of 3,6-dibromo-9-butylcarbazole-2,7-dicarbaldehyde (CID 122393793) is 3,6-dibromo-9-butylcarbazole-2,7-dicarbaldehyde.
What is the SMILES notation for 3,6-dibromo-9-butylcarbazole-2,7-dicarbaldehyde?
The canonical SMILES for 3,6-dibromo-9-butylcarbazole-2,7-dicarbaldehyde is CCCCn1c2cc(C=O)c(Br)cc2c2cc(Br)c(C=O)cc21.
What is the InChIKey of 3,6-dibromo-9-butylcarbazole-2,7-dicarbaldehyde?
The InChIKey is KXHCQDNYNLRVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2NO2/c1-2-3-4-21-17-5-11(9-22)15(19)7-13(17)14-8-16(20)12(10-23)6-18(14)21/h5-10H,2-4H2,1H3.
What are the key properties of 3,6-dibromo-9-butylcarbazole-2,7-dicarbaldehyde?
3,6-dibromo-9-butylcarbazole-2,7-dicarbaldehyde has a molecular weight of 437.13 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-butylcarbazole-2,7-dicarbaldehyde is sourced from PubChem (CID 122393793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).