3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,19-diol

C20H13N3O2 — CID 57061603

IUPAC3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,19-diol
SMILESOc1ccc2[nH]c3c4[nH]c5ccc(O)cc5c4c4c(c3c2c1)C=NC4
InChIInChI=1S/C20H13N3O2/c24-9-1-3-15-11(5-9)17-13-7-21-8-14(13)18-12-6-10(25)2-4-16(12)23-20(18)19(17)22-15/h1-7,22-25H,8H2
InChIKeyAUANOJHTYWUEDC-UHFFFAOYSA-N
MW327.34 g/mol
LogP4.30
Rot. Bonds

About 3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,19-diol

3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,19-diol (PubChem CID 57061603) has the molecular formula C20H13N3O2 and a molecular weight of 327.34 g/mol. Its IUPAC name is 3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,19-diol.

Molecular Properties

Compound Name3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,19-diol
PubChem CID57061603
Molecular FormulaC20H13N3O2
Molecular Weight327.34 g/mol
Exact Mass327.10
IUPAC Name3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,19-diol
SMILESOc1ccc2[nH]c3c4[nH]c5ccc(O)cc5c4c4c(c3c2c1)C=NC4
InChIInChI=1S/C20H13N3O2/c24-9-1-3-15-11(5-9)17-13-7-21-8-14(13)18-12-6-10(25)2-4-16(12)23-20(18)19(17)22-15/h1-7,22-25H,8H2
InChIKeyAUANOJHTYWUEDC-UHFFFAOYSA-N
XLogP4.30
TPSA84.40 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 54.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,19-diol with MolForge

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Related Compounds

6,19-dihydroxy-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
CID 10926420
4-[6-(4-cyanophenyl)-2,8-dihydroxy-5,11-dihydroindolo[3,2-b]carbazol-12-yl]benzonitrile
CID 174178952
19-hydroxy-13-methyl-3,7,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
CID 44576327
2-methyl-9H-carbazole-1,6-diol
CID 171715126
5-ethyl-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol
CID 71341368
5,7-dimethyl-9H-carbazol-3-ol
CID 171714931
2-[1-(diethylamino)ethyl]-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-9-ol
CID 174620500
7-hydroxy-3,24-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1,4(9),5,7,10,15,17,19,21,23-decaen-12-one
CID 162293939
9-hydroxy-5-methyl-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
CID 11844346
5H-pyrido[3,2-b]indol-8-ol
CID 10511693
1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
CID 45097462
(2R,3R,4S,5R)-2-(9-hydroxy-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 174258872

Frequently Asked Questions

What is the IUPAC name of 3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,19-diol?
The IUPAC name of 3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,19-diol (CID 57061603) is 3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,19-diol.
What is the SMILES notation for 3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,19-diol?
The canonical SMILES for 3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,19-diol is Oc1ccc2[nH]c3c4[nH]c5ccc(O)cc5c4c4c(c3c2c1)C=NC4.
What is the InChIKey of 3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,19-diol?
The InChIKey is AUANOJHTYWUEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2/c24-9-1-3-15-11(5-9)17-13-7-21-8-14(13)18-12-6-10(25)2-4-16(12)23-20(18)19(17)22-15/h1-7,22-25H,8H2.
What are the key properties of 3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,19-diol?
3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,19-diol has a molecular weight of 327.34 g/mol, XLogP of 4.30, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,19-diol is sourced from PubChem (CID 57061603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).