9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene

C26H17N — CID 158392465

IUPAC9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
SMILESc1ccc2c(c1)Cc1c3c(c4c([nH]c5ccccc54)c1-2)-c1ccccc1C3
InChIInChI=1S/C26H17N/c1-3-9-17-15(7-1)13-20-21-14-16-8-2-4-10-18(16)24(21)26-25(23(17)20)19-11-5-6-12-22(19)27-26/h1-12,27H,13-14H2
InChIKeyGXDBRCJVZOWMJA-UHFFFAOYSA-N
MW343.43 g/mol
LogP6.46
Rot. Bonds

About 9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene

9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (PubChem CID 158392465) has the molecular formula C26H17N and a molecular weight of 343.43 g/mol. Its IUPAC name is 9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.

Molecular Properties

Compound Name9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
PubChem CID158392465
Molecular FormulaC26H17N
Molecular Weight343.43 g/mol
Exact Mass343.14
IUPAC Name9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
SMILESc1ccc2c(c1)Cc1c3c(c4c([nH]c5ccccc54)c1-2)-c1ccccc1C3
InChIInChI=1S/C26H17N/c1-3-9-17-15(7-1)13-20-21-14-16-8-2-4-10-18(16)24(21)26-25(23(17)20)19-11-5-6-12-22(19)27-26/h1-12,27H,13-14H2
InChIKeyGXDBRCJVZOWMJA-UHFFFAOYSA-N
XLogP6.46
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene with MolForge

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Related Compounds

3-azahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaene-12,14-dione
CID 58434746
6,12-dibromo-5,11-dihydroindeno[1,2-b]carbazole
CID 159885626
18-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene
CID 144725899
7,12-dihydroindeno[1,2-a]carbazole
CID 58472013
2-(9H-fluoren-1-yl)-3,4-dimethyl-1-phenyl-9H-carbazole
CID 175536427
2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile
CID 155081196
9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
CID 145125960
5,10-dihydroindeno[1,2-b]indole;ethane
CID 143208166
9H-carbazole;bis(9H-fluorene)
CID 158703465
2-(9H-fluoren-1-yl)-9H-carbazol-1-amine
CID 172636197
1-(1-dibenzothiophen-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole
CID 166135021
6,11-diphenyl-5H-benzo[b]carbazole
CID 10785338

Frequently Asked Questions

What is the IUPAC name of 9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?
The IUPAC name of 9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (CID 158392465) is 9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.
What is the SMILES notation for 9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?
The canonical SMILES for 9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is c1ccc2c(c1)Cc1c3c(c4c([nH]c5ccccc54)c1-2)-c1ccccc1C3.
What is the InChIKey of 9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?
The InChIKey is GXDBRCJVZOWMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N/c1-3-9-17-15(7-1)13-20-21-14-16-8-2-4-10-18(16)24(21)26-25(23(17)20)19-11-5-6-12-22(19)27-26/h1-12,27H,13-14H2.
What are the key properties of 9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?
9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene has a molecular weight of 343.43 g/mol, XLogP of 6.46, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is sourced from PubChem (CID 158392465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).