2-(3-chloro-12H-indolo[2,3-a]carbazol-11-yl)oxane-3,4,5-triol

C23H19ClN2O4 — CID 163042981

IUPAC2-(3-chloro-12H-indolo[2,3-a]carbazol-11-yl)oxane-3,4,5-triol
SMILESOC1COC(n2c3ccccc3c3ccc4c5cc(Cl)ccc5[nH]c4c32)C(O)C1O
InChIInChI=1S/C23H19ClN2O4/c24-11-5-8-16-15(9-11)13-6-7-14-12-3-1-2-4-17(12)26(20(14)19(13)25-16)23-22(29)21(28)18(27)10-30-23/h1-9,18,21-23,25,27-29H,10H2
InChIKeySYACLHGRMBPYAS-UHFFFAOYSA-N
MW422.87 g/mol
LogP3.69
Rot. Bonds1

About 2-(3-chloro-12H-indolo[2,3-a]carbazol-11-yl)oxane-3,4,5-triol

2-(3-chloro-12H-indolo[2,3-a]carbazol-11-yl)oxane-3,4,5-triol (PubChem CID 163042981) has the molecular formula C23H19ClN2O4 and a molecular weight of 422.87 g/mol. Its IUPAC name is 2-(3-chloro-12H-indolo[2,3-a]carbazol-11-yl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(3-chloro-12H-indolo[2,3-a]carbazol-11-yl)oxane-3,4,5-triol
PubChem CID163042981
Molecular FormulaC23H19ClN2O4
Molecular Weight422.87 g/mol
Exact Mass422.10
IUPAC Name2-(3-chloro-12H-indolo[2,3-a]carbazol-11-yl)oxane-3,4,5-triol
SMILESOC1COC(n2c3ccccc3c3ccc4c5cc(Cl)ccc5[nH]c4c32)C(O)C1O
InChIInChI=1S/C23H19ClN2O4/c24-11-5-8-16-15(9-11)13-6-7-14-12-3-1-2-4-17(12)26(20(14)19(13)25-16)23-22(29)21(28)18(27)10-30-23/h1-9,18,21-23,25,27-29H,10H2
InChIKeySYACLHGRMBPYAS-UHFFFAOYSA-N
XLogP3.69
TPSA90.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 53.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4R,5R,6S)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol
CID 15705736
(2R,3R,4S,5S,6R)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol
CID 146683638
3-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 11351560
3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 139953974
13-methyl-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 10600476
dimethyl 12-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-11H-indolo[2,3-a]carbazole-5,6-dicarboxylate
CID 11785403
(2R,3R,4R,5R)-2-(4-amino-2-phenyliminoquinazolin-1-yl)oxane-3,4,5-triol
CID 131857520
9-chloro-12H-[1,4]benzodioxino[2,3-a]carbazole
CID 118442132
(3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol
CID 126530816
3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole
CID 10758096
12-tert-butyl-11H-indolo[2,3-a]carbazole
CID 172511802
(3S,4R,6R)-6-(12,14-dimethylidene-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl)oxane-3,4-diol
CID 154979372

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-12H-indolo[2,3-a]carbazol-11-yl)oxane-3,4,5-triol?
The IUPAC name of 2-(3-chloro-12H-indolo[2,3-a]carbazol-11-yl)oxane-3,4,5-triol (CID 163042981) is 2-(3-chloro-12H-indolo[2,3-a]carbazol-11-yl)oxane-3,4,5-triol.
What is the SMILES notation for 2-(3-chloro-12H-indolo[2,3-a]carbazol-11-yl)oxane-3,4,5-triol?
The canonical SMILES for 2-(3-chloro-12H-indolo[2,3-a]carbazol-11-yl)oxane-3,4,5-triol is OC1COC(n2c3ccccc3c3ccc4c5cc(Cl)ccc5[nH]c4c32)C(O)C1O.
What is the InChIKey of 2-(3-chloro-12H-indolo[2,3-a]carbazol-11-yl)oxane-3,4,5-triol?
The InChIKey is SYACLHGRMBPYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O4/c24-11-5-8-16-15(9-11)13-6-7-14-12-3-1-2-4-17(12)26(20(14)19(13)25-16)23-22(29)21(28)18(27)10-30-23/h1-9,18,21-23,25,27-29H,10H2.
What are the key properties of 2-(3-chloro-12H-indolo[2,3-a]carbazol-11-yl)oxane-3,4,5-triol?
2-(3-chloro-12H-indolo[2,3-a]carbazol-11-yl)oxane-3,4,5-triol has a molecular weight of 422.87 g/mol, XLogP of 3.69, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-12H-indolo[2,3-a]carbazol-11-yl)oxane-3,4,5-triol is sourced from PubChem (CID 163042981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).