23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene

C26H18N2 — CID 122594993

IUPAC23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
SMILESCCn1c2ccccc2c2c3c4ccccc4n4c5ccccc5c(cc21)c34
InChIInChI=1S/C26H18N2/c1-2-27-20-12-6-4-10-17(20)24-23(27)15-19-16-9-3-7-13-21(16)28-22-14-8-5-11-18(22)25(24)26(19)28/h3-15H,2H2,1H3
InChIKeyFBFGVNMDCZKEFG-UHFFFAOYSA-N
MW358.44 g/mol
LogP6.96
Rot. Bonds1

About 23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene

23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene (PubChem CID 122594993) has the molecular formula C26H18N2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene.

Molecular Properties

Compound Name23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
PubChem CID122594993
Molecular FormulaC26H18N2
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC Name23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
SMILESCCn1c2ccccc2c2c3c4ccccc4n4c5ccccc5c(cc21)c34
InChIInChI=1S/C26H18N2/c1-2-27-20-12-6-4-10-17(20)24-23(27)15-19-16-9-3-7-13-21(16)28-22-14-8-5-11-18(22)25(24)26(19)28/h3-15H,2H2,1H3
InChIKeyFBFGVNMDCZKEFG-UHFFFAOYSA-N
XLogP6.96
TPSA9.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene with MolForge

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Related Compounds

11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene
CID 144868483
4-[(9-ethylcarbazol-3-yl)methyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122537699
21-ethyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 20520657
9-ethyl-2-methylcarbazole
CID 19788789
ethane;9-ethylcarbazole;9-methylcarbazole;propane
CID 158486364
(9-ethylcarbazol-3-yl)-trimethylstannane
CID 71421811
4,27-diethyl-4,27-diazaheptacyclo[15.11.0.02,14.03,11.05,10.020,28.021,26]octacosa-1(17),2(14),3(11),5,7,9,12,15,18,20(28),21,23,25-tridecaene
CID 177442338
3-butan-2-yl-9-ethylcarbazole
CID 23520664
9-ethyl-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-ethyl-11-methylindolo[2,3-a]carbazole;5-ethyl-7-methylindolo[2,3-b]carbazole;11-ethyl-5-methylindolo[3,2-b]carbazole;5-ethyl-12-methylindolo[3,2-c]carbazole;12-ethyl-5-methylindolo[3,2-c]carbazole
CID 157390176
9H-carbazole;9-ethylcarbazole
CID 159391034
28-methyl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene
CID 138752081
23-ethyl-N,N-diphenyl-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-dodecaen-10-amine
CID 89417765

Frequently Asked Questions

What is the IUPAC name of 23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene?
The IUPAC name of 23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene (CID 122594993) is 23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene.
What is the SMILES notation for 23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene?
The canonical SMILES for 23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene is CCn1c2ccccc2c2c3c4ccccc4n4c5ccccc5c(cc21)c34.
What is the InChIKey of 23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene?
The InChIKey is FBFGVNMDCZKEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2/c1-2-27-20-12-6-4-10-17(20)24-23(27)15-19-16-9-3-7-13-21(16)28-22-14-8-5-11-18(22)25(24)26(19)28/h3-15H,2H2,1H3.
What are the key properties of 23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene?
23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene has a molecular weight of 358.44 g/mol, XLogP of 6.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene is sourced from PubChem (CID 122594993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).