9-[6-(3-formylcarbazol-9-yl)hexyl]carbazole-3-carbaldehyde

C32H28N2O2 — CID 86184015

IUPAC9-[6-(3-formylcarbazol-9-yl)hexyl]carbazole-3-carbaldehyde
SMILESO=Cc1ccc2c(c1)c1ccccc1n2CCCCCCn1c2ccccc2c2cc(C=O)ccc21
InChIInChI=1S/C32H28N2O2/c35-21-23-13-15-31-27(19-23)25-9-3-5-11-29(25)33(31)17-7-1-2-8-18-34-30-12-6-4-10-26(30)28-20-24(22-36)14-16-32(28)34/h3-6,9-16,19-22H,1-2,7-8,17-18H2
InChIKeyUZTRRWOVPXDJPS-UHFFFAOYSA-N
MW472.59 g/mol
LogP7.79
Rot. Bonds9

About 9-[6-(3-formylcarbazol-9-yl)hexyl]carbazole-3-carbaldehyde

9-[6-(3-formylcarbazol-9-yl)hexyl]carbazole-3-carbaldehyde (PubChem CID 86184015) has the molecular formula C32H28N2O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 9-[6-(3-formylcarbazol-9-yl)hexyl]carbazole-3-carbaldehyde.

Molecular Properties

Compound Name9-[6-(3-formylcarbazol-9-yl)hexyl]carbazole-3-carbaldehyde
PubChem CID86184015
Molecular FormulaC32H28N2O2
Molecular Weight472.59 g/mol
Exact Mass472.22
IUPAC Name9-[6-(3-formylcarbazol-9-yl)hexyl]carbazole-3-carbaldehyde
SMILESO=Cc1ccc2c(c1)c1ccccc1n2CCCCCCn1c2ccccc2c2cc(C=O)ccc21
InChIInChI=1S/C32H28N2O2/c35-21-23-13-15-31-27(19-23)25-9-3-5-11-29(25)33(31)17-7-1-2-8-18-34-30-12-6-4-10-26(30)28-20-24(22-36)14-16-32(28)34/h3-6,9-16,19-22H,1-2,7-8,17-18H2
InChIKeyUZTRRWOVPXDJPS-UHFFFAOYSA-N
XLogP7.79
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1'-(9-(2-((1-Methylethyl)amino)ethyl)-9H-carbazole-3,6-diyl)bis(ethanone)
CID 44519124
1-methyl-1H-indole-5-carbaldehyde
CID 7537534
9-ethyl-9H-carbazole-3-carbaldehyde
CID 82055
EG-018
CID 118796466
9-Methyl-9H-carbazole-3-carbaldehyde
CID 610666
Cblc137
CID 44519123
3,6-Diacetyl-9-ethylcarbazole
CID 622083
EG-2201
CID 118796499
3-(2-Hydroxyethyl)-3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tetracosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaen-14-one
CID 24971432
3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]heptylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide
CID 9851789
1-(4-formylphenyl)-1H-indole-3-carbaldehyde
CID 1481705
(4-Amino-phenyl)-carbazol-9-yl-methanone
CID 3147219

Frequently Asked Questions

What is the IUPAC name of 9-[6-(3-formylcarbazol-9-yl)hexyl]carbazole-3-carbaldehyde?
The IUPAC name of 9-[6-(3-formylcarbazol-9-yl)hexyl]carbazole-3-carbaldehyde (CID 86184015) is 9-[6-(3-formylcarbazol-9-yl)hexyl]carbazole-3-carbaldehyde.
What is the SMILES notation for 9-[6-(3-formylcarbazol-9-yl)hexyl]carbazole-3-carbaldehyde?
The canonical SMILES for 9-[6-(3-formylcarbazol-9-yl)hexyl]carbazole-3-carbaldehyde is O=Cc1ccc2c(c1)c1ccccc1n2CCCCCCn1c2ccccc2c2cc(C=O)ccc21.
What is the InChIKey of 9-[6-(3-formylcarbazol-9-yl)hexyl]carbazole-3-carbaldehyde?
The InChIKey is UZTRRWOVPXDJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O2/c35-21-23-13-15-31-27(19-23)25-9-3-5-11-29(25)33(31)17-7-1-2-8-18-34-30-12-6-4-10-26(30)28-20-24(22-36)14-16-32(28)34/h3-6,9-16,19-22H,1-2,7-8,17-18H2.
What are the key properties of 9-[6-(3-formylcarbazol-9-yl)hexyl]carbazole-3-carbaldehyde?
9-[6-(3-formylcarbazol-9-yl)hexyl]carbazole-3-carbaldehyde has a molecular weight of 472.59 g/mol, XLogP of 7.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(3-formylcarbazol-9-yl)hexyl]carbazole-3-carbaldehyde is sourced from PubChem (CID 86184015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).