(1S,7R)-4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

C23H20N2O2 — CID 91294829

IUPAC(1S,7R)-4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
SMILESCCn1c2ccccc2c2ccc(-n3c(O)c4c(c3O)[C@H]3C=C[C@@H]4C3)cc21
InChIInChI=1S/C23H20N2O2/c1-2-24-18-6-4-3-5-16(18)17-10-9-15(12-19(17)24)25-22(26)20-13-7-8-14(11-13)21(20)23(25)27/h3-10,12-14,26-27H,2,11H2,1H3/t13-,14+
InChIKeyZFPACYFYEXROAS-OKILXGFUSA-N
MW356.43 g/mol
LogP5.16
Rot. Bonds2

About (1S,7R)-4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

(1S,7R)-4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol (PubChem CID 91294829) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (1S,7R)-4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol.

Molecular Properties

Compound Name(1S,7R)-4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
PubChem CID91294829
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name(1S,7R)-4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
SMILESCCn1c2ccccc2c2ccc(-n3c(O)c4c(c3O)[C@H]3C=C[C@@H]4C3)cc21
InChIInChI=1S/C23H20N2O2/c1-2-24-18-6-4-3-5-16(18)17-10-9-15(12-19(17)24)25-22(26)20-13-7-8-14(11-13)21(20)23(25)27/h3-10,12-14,26-27H,2,11H2,1H3/t13-,14+
InChIKeyZFPACYFYEXROAS-OKILXGFUSA-N
XLogP5.16
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 68543076
4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 90918352
9-ethyl-2-methylcarbazole
CID 19788789
10-(9-ethylcarbazol-3-yl)acridin-9-one
CID 163562999
7-ethyl-5-phenylindolo[2,3-b]carbazole
CID 139441502
10-(4-carbazol-9-ylphenyl)-23-ethyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 89417758
9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole
CID 141303114
18-ethyl-18-azapentacyclo[9.7.0.02,8.03,5.012,17]octadeca-1(11),2(8),6,9,12,14,16-heptaene
CID 142416237
3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275887
4-[3-[(4-methylphenyl)methoxy]phenyl]-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 90723193
3,13-bis(9-ethylcarbazol-3-yl)-4,5,14,15-tetramethyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene
CID 58161465
(1R,15S)-4-ethyl-4-azapentacyclo[13.2.1.02,14.03,11.05,10]octadeca-2(14),3(11),5,7,9,16-hexaene-12,13-dione
CID 11403529

Frequently Asked Questions

What is the IUPAC name of (1S,7R)-4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The IUPAC name of (1S,7R)-4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol (CID 91294829) is (1S,7R)-4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol.
What is the SMILES notation for (1S,7R)-4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The canonical SMILES for (1S,7R)-4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol is CCn1c2ccccc2c2ccc(-n3c(O)c4c(c3O)[C@H]3C=C[C@@H]4C3)cc21.
What is the InChIKey of (1S,7R)-4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The InChIKey is ZFPACYFYEXROAS-OKILXGFUSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-2-24-18-6-4-3-5-16(18)17-10-9-15(12-19(17)24)25-22(26)20-13-7-8-14(11-13)21(20)23(25)27/h3-10,12-14,26-27H,2,11H2,1H3/t13-,14+.
What are the key properties of (1S,7R)-4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
(1S,7R)-4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol has a molecular weight of 356.43 g/mol, XLogP of 5.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R)-4-(9-ethylcarbazol-2-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol is sourced from PubChem (CID 91294829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).