1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde

C21H17NO2 — CID 10064291

IUPAC1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)c2c1[nH]c1ccc(Oc3ccccc3)cc12
InChIInChI=1S/C21H17NO2/c1-13-10-15(12-23)14(2)20-18-11-17(8-9-19(18)22-21(13)20)24-16-6-4-3-5-7-16/h3-12,22H,1-2H3
InChIKeyYFMZWXZTJPQDQN-UHFFFAOYSA-N
MW315.37 g/mol
LogP5.54
Rot. Bonds3

About 1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde

1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde (PubChem CID 10064291) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde.

Molecular Properties

Compound Name1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde
PubChem CID10064291
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)c2c1[nH]c1ccc(Oc3ccccc3)cc12
InChIInChI=1S/C21H17NO2/c1-13-10-15(12-23)14(2)20-18-11-17(8-9-19(18)22-21(13)20)24-16-6-4-3-5-7-16/h3-12,22H,1-2H3
InChIKeyYFMZWXZTJPQDQN-UHFFFAOYSA-N
XLogP5.54
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.37
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-diethoxyethyl)-1-(1,4-dimethyl-6-phenoxy-9H-carbazol-3-yl)methanimine
CID 10048341
3-methyl-5-phenoxy-1H-indole
CID 82494590
[4-[(2,3-dimethyl-1H-indol-5-yl)oxy]phenyl] formate
CID 129175808
2-phenoxy-10H-acridin-9-one
CID 14029103
7-phenoxynaphthalene-1-carbaldehyde
CID 146459921
(6-chloro-1,4-dimethyl-9H-carbazol-3-yl)-phenylmethanone
CID 71699443
2,4,9-triphenoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 139788390
2,4-diphenoxybenzaldehyde
CID 87301631
ethyl 3-(aminomethyl)-5-phenoxy-1H-indole-2-carboxylate
CID 94949097
N-(6-methoxy-1,4-dimethyl-9H-carbazol-3-yl)-N-oxidohydroxylamine
CID 21142512
1,3-dimethyl-5-phenoxyindole-2-carbaldehyde
CID 82501585
3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole
CID 168554394

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde?
The IUPAC name of 1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde (CID 10064291) is 1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde.
What is the SMILES notation for 1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde?
The canonical SMILES for 1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde is Cc1cc(C=O)c(C)c2c1[nH]c1ccc(Oc3ccccc3)cc12.
What is the InChIKey of 1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde?
The InChIKey is YFMZWXZTJPQDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-13-10-15(12-23)14(2)20-18-11-17(8-9-19(18)22-21(13)20)24-16-6-4-3-5-7-16/h3-12,22H,1-2H3.
What are the key properties of 1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde?
1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde has a molecular weight of 315.37 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde is sourced from PubChem (CID 10064291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).