2,3-dihydroxy-1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-4-carbaldehyde

C21H18N2O3 — CID 10269123

IUPAC2,3-dihydroxy-1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-4-carbaldehyde
SMILESO=CC1c2c([nH]c3ccccc23)C(c2c[nH]c3ccccc23)C(O)C1O
InChIInChI=1S/C21H18N2O3/c24-10-14-17-12-6-2-4-8-16(12)23-19(17)18(21(26)20(14)25)13-9-22-15-7-3-1-5-11(13)15/h1-10,14,18,20-23,25-26H
InChIKeyNFMNZELFRYJZET-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.80
Rot. Bonds2

About 2,3-dihydroxy-1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-4-carbaldehyde

2,3-dihydroxy-1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-4-carbaldehyde (PubChem CID 10269123) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2,3-dihydroxy-1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-4-carbaldehyde.

Molecular Properties

Compound Name2,3-dihydroxy-1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-4-carbaldehyde
PubChem CID10269123
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name2,3-dihydroxy-1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-4-carbaldehyde
SMILESO=CC1c2c([nH]c3ccccc23)C(c2c[nH]c3ccccc23)C(O)C1O
InChIInChI=1S/C21H18N2O3/c24-10-14-17-12-6-2-4-8-16(12)23-19(17)18(21(26)20(14)25)13-9-22-15-7-3-1-5-11(13)15/h1-10,14,18,20-23,25-26H
InChIKeyNFMNZELFRYJZET-UHFFFAOYSA-N
XLogP2.80
TPSA89.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,3R)-2-bromo-1,3-bis(1H-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 155816934
(1R,2S,3S)-3-(1H-indol-3-yl)-1-(4-nitrophenyl)-2-phenyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 177425594
(6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole
CID 155805566
3-(1H-indol-3-yl)oxiran-2-ol
CID 123804780
1-[10-(1H-indol-3-yl)-2,2-dimethyl-4,9,10,10a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]carbazol-4-yl]ethane-1,2-diol
CID 10202158
(2R,10S)-2,10-bis(1H-indol-3-yl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene
CID 155807475
(5S)-5-(1H-indol-3-yl)-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indol-1-one
CID 102149206
(10R,11R)-14-(3H-inden-1-yl)-10-(1H-indol-3-yl)-12-oxa-8-azatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,14-pentaen-13-one
CID 163648256
2-(1H-indol-3-yl)-5-methylcyclohexane-1-carbaldehyde
CID 174583478
[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 2-(1H-indol-3-yl)acetate
CID 18335849
N-[(4S,5R)-5-(1H-indol-3-yl)-1-oxo-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indol-4-yl]benzenesulfonamide
CID 23659091
4-(1H-indol-3-yl)azetidin-2-one
CID 55255346

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-4-carbaldehyde?
The IUPAC name of 2,3-dihydroxy-1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-4-carbaldehyde (CID 10269123) is 2,3-dihydroxy-1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-4-carbaldehyde.
What is the SMILES notation for 2,3-dihydroxy-1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-4-carbaldehyde?
The canonical SMILES for 2,3-dihydroxy-1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-4-carbaldehyde is O=CC1c2c([nH]c3ccccc23)C(c2c[nH]c3ccccc23)C(O)C1O.
What is the InChIKey of 2,3-dihydroxy-1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-4-carbaldehyde?
The InChIKey is NFMNZELFRYJZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-10-14-17-12-6-2-4-8-16(12)23-19(17)18(21(26)20(14)25)13-9-22-15-7-3-1-5-11(13)15/h1-10,14,18,20-23,25-26H.
What are the key properties of 2,3-dihydroxy-1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-4-carbaldehyde?
2,3-dihydroxy-1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-4-carbaldehyde has a molecular weight of 346.39 g/mol, XLogP of 2.80, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-4-carbaldehyde is sourced from PubChem (CID 10269123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).