3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene

C26H15N — CID 118303819

IUPAC3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene
SMILESc1ccc2c(c1)-c1cccc3c1c-2cc1c3[nH]c2ccc3ccccc3c21
InChIInChI=1S/C26H15N/c1-2-7-16-15(6-1)12-13-23-25(16)22-14-21-18-9-4-3-8-17(18)19-10-5-11-20(24(19)21)26(22)27-23/h1-14,27H
InChIKeyOCZDNSYQOAQQGA-UHFFFAOYSA-N
MW341.41 g/mol
LogP7.27
Rot. Bonds

About 3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene

3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene (PubChem CID 118303819) has the molecular formula C26H15N and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene.

Molecular Properties

Compound Name3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene
PubChem CID118303819
Molecular FormulaC26H15N
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC Name3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene
SMILESc1ccc2c(c1)-c1cccc3c1c-2cc1c3[nH]c2ccc3ccccc3c21
InChIInChI=1S/C26H15N/c1-2-7-16-15(6-1)12-13-23-25(16)22-14-21-18-9-4-3-8-17(18)19-10-5-11-20(24(19)21)26(22)27-23/h1-14,27H
InChIKeyOCZDNSYQOAQQGA-UHFFFAOYSA-N
XLogP7.27
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene with MolForge

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Related Compounds

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8-dibenzothiophen-1-yl-7H-benzo[c]carbazole
CID 142570089
8-chloro-7H-benzo[c]carbazole
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7-phenyl-11H-benzo[a]carbazole
CID 166849770
11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole
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8-(4-dibenzothiophen-2-ylphenyl)-7H-benzo[c]carbazole
CID 142567945
8-(5-dibenzothiophen-3-ylnaphthalen-1-yl)-7H-benzo[c]carbazole
CID 142569583
8-(3-dibenzofuran-4-ylphenyl)-7H-benzo[c]carbazole
CID 145419361
13-thia-28-azaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.019,24]octacosa-1(17),2(14),3,5,7,9,11,15,18(27),19,21,23,25-tridecaene
CID 130452515
25,25-dimethyl-22-oxa-28-azadecacyclo[24.15.0.02,7.08,24.011,23.012,21.013,18.027,39.029,38.032,37]hentetraconta-1(26),2,4,6,8(24),9,11(23),12(21),13,15,17,19,27(39),29(38),30,32,34,36,40-nonadecaene
CID 163549147
5-(7H-benzo[c]carbazol-10-yl)-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134301025

Frequently Asked Questions

What is the IUPAC name of 3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene?
The IUPAC name of 3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene (CID 118303819) is 3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene.
What is the SMILES notation for 3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene?
The canonical SMILES for 3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene is c1ccc2c(c1)-c1cccc3c1c-2cc1c3[nH]c2ccc3ccccc3c21.
What is the InChIKey of 3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene?
The InChIKey is OCZDNSYQOAQQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15N/c1-2-7-16-15(6-1)12-13-23-25(16)22-14-21-18-9-4-3-8-17(18)19-10-5-11-20(24(19)21)26(22)27-23/h1-14,27H.
What are the key properties of 3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene?
3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene has a molecular weight of 341.41 g/mol, XLogP of 7.27, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene is sourced from PubChem (CID 118303819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).