7-carbazol-9-yl-4-hydroxy-2-oxochromene-3-carbaldehyde

C22H13NO4 — CID 167299712

IUPAC7-carbazol-9-yl-4-hydroxy-2-oxochromene-3-carbaldehyde
SMILESO=Cc1c(O)c2ccc(-n3c4ccccc4c4ccccc43)cc2oc1=O
InChIInChI=1S/C22H13NO4/c24-12-17-21(25)16-10-9-13(11-20(16)27-22(17)26)23-18-7-3-1-5-14(18)15-6-2-4-8-19(15)23/h1-12,25H
InChIKeyDLKTZUCECMZMPO-UHFFFAOYSA-N
MW355.35 g/mol
LogP4.41
Rot. Bonds2

About 7-carbazol-9-yl-4-hydroxy-2-oxochromene-3-carbaldehyde

7-carbazol-9-yl-4-hydroxy-2-oxochromene-3-carbaldehyde (PubChem CID 167299712) has the molecular formula C22H13NO4 and a molecular weight of 355.35 g/mol. Its IUPAC name is 7-carbazol-9-yl-4-hydroxy-2-oxochromene-3-carbaldehyde.

Molecular Properties

Compound Name7-carbazol-9-yl-4-hydroxy-2-oxochromene-3-carbaldehyde
PubChem CID167299712
Molecular FormulaC22H13NO4
Molecular Weight355.35 g/mol
Exact Mass355.08
IUPAC Name7-carbazol-9-yl-4-hydroxy-2-oxochromene-3-carbaldehyde
SMILESO=Cc1c(O)c2ccc(-n3c4ccccc4c4ccccc43)cc2oc1=O
InChIInChI=1S/C22H13NO4/c24-12-17-21(25)16-10-9-13(11-20(16)27-22(17)26)23-18-7-3-1-5-14(18)15-6-2-4-8-19(15)23/h1-12,25H
InChIKeyDLKTZUCECMZMPO-UHFFFAOYSA-N
XLogP4.41
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,7-dihydroxy-2-oxochromene-3-carbaldehyde
CID 137208579
9-(17-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147323
9-(17-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-yl)carbazole
CID 59147574
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372
9-[7-[7-[7-(7-carbazol-9-yldibenzofuran-3-yl)dibenzofuran-3-yl]dibenzofuran-3-yl]dibenzofuran-3-yl]carbazole
CID 90207091
9-(7-chlorodibenzofuran-3-yl)carbazole
CID 146507114
7-[5-(2-oxochromen-7-yl)indolo[3,2-b]carbazol-11-yl]chromen-2-one
CID 139365310
10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one
CID 118248537
(7-carbazol-9-yldibenzofuran-4-yl)-trimethyl-λ4-sulfane
CID 144782100
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
CID 122548627
10-hydroxy-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one
CID 121242368
9-(16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147402

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-4-hydroxy-2-oxochromene-3-carbaldehyde?
The IUPAC name of 7-carbazol-9-yl-4-hydroxy-2-oxochromene-3-carbaldehyde (CID 167299712) is 7-carbazol-9-yl-4-hydroxy-2-oxochromene-3-carbaldehyde.
What is the SMILES notation for 7-carbazol-9-yl-4-hydroxy-2-oxochromene-3-carbaldehyde?
The canonical SMILES for 7-carbazol-9-yl-4-hydroxy-2-oxochromene-3-carbaldehyde is O=Cc1c(O)c2ccc(-n3c4ccccc4c4ccccc43)cc2oc1=O.
What is the InChIKey of 7-carbazol-9-yl-4-hydroxy-2-oxochromene-3-carbaldehyde?
The InChIKey is DLKTZUCECMZMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13NO4/c24-12-17-21(25)16-10-9-13(11-20(16)27-22(17)26)23-18-7-3-1-5-14(18)15-6-2-4-8-19(15)23/h1-12,25H.
What are the key properties of 7-carbazol-9-yl-4-hydroxy-2-oxochromene-3-carbaldehyde?
7-carbazol-9-yl-4-hydroxy-2-oxochromene-3-carbaldehyde has a molecular weight of 355.35 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbazol-9-yl-4-hydroxy-2-oxochromene-3-carbaldehyde is sourced from PubChem (CID 167299712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).