12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene

C23H15N — CID 118488485

IUPAC12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)[nH]c1ccc2ccccc2c13
InChIInChI=1S/C23H15N/c1-4-8-18-14(5-1)9-10-21-23(18)20-12-16-11-15-6-2-3-7-17(15)19(16)13-22(20)24-21/h1-10,12-13,24H,11H2
InChIKeyOCPKOVSYYLNVQH-UHFFFAOYSA-N
MW305.38 g/mol
LogP6.05
Rot. Bonds

About 12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene

12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene (PubChem CID 118488485) has the molecular formula C23H15N and a molecular weight of 305.38 g/mol. Its IUPAC name is 12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene.

Molecular Properties

Compound Name12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
PubChem CID118488485
Molecular FormulaC23H15N
Molecular Weight305.38 g/mol
Exact Mass305.12
IUPAC Name12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)[nH]c1ccc2ccccc2c13
InChIInChI=1S/C23H15N/c1-4-8-18-14(5-1)9-10-21-23(18)20-12-16-11-15-6-2-3-7-17(15)19(16)13-22(20)24-21/h1-10,12-13,24H,11H2
InChIKeyOCPKOVSYYLNVQH-UHFFFAOYSA-N
XLogP6.05
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene with MolForge

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Related Compounds

9-azaoctacyclo[13.13.2.02,10.03,8.012,29.017,25.019,24.026,30]triaconta-1(29),2(10),3,5,7,11,13,15,17(25),19,21,23,26(30),27-tetradecaene;8,18,22,26-tetrazaundecacyclo[21.18.0.02,21.04,19.05,17.07,15.09,14.025,40.027,39.029,37.030,35]hentetraconta-1(23),2,4(19),5(17),6,9,11,13,15,20,24,27(39),28,30,32,34,37,40-octadecaene;15,19,23-triazanonacyclo[18.15.0.02,18.04,16.05,14.06,11.022,34.024,33.027,32]pentatriaconta-1(35),2,4(16),5(14),6,8,10,12,17,20,22(34),24(33),25,27,29,31-hexadecaene;15,19,23-triazanonacyclo[18.15.0.02,18.04,16.05,14.07,12.022,34.024,33.026,31]pentatriaconta-1(20),2(18),3,5,7,9,11,13,16,21,24,26,28,30,32,34-hexadecaene;19,23,27-triazaundecacyclo[22.19.0.02,22.04,20.05,18.06,15.08,13.026,42.028,41.031,40.033,38]tritetraconta-1(43),2,4(20),5(18),6,8,10,12,14,16,21,24,26(42),28(41),29,31,33,35,37,39-icosaene
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Frequently Asked Questions

What is the IUPAC name of 12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The IUPAC name of 12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene (CID 118488485) is 12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene.
What is the SMILES notation for 12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The canonical SMILES for 12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene is c1ccc2c(c1)Cc1cc3c(cc1-2)[nH]c1ccc2ccccc2c13.
What is the InChIKey of 12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The InChIKey is OCPKOVSYYLNVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N/c1-4-8-18-14(5-1)9-10-21-23(18)20-12-16-11-15-6-2-3-7-17(15)19(16)13-22(20)24-21/h1-10,12-13,24H,11H2.
What are the key properties of 12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene has a molecular weight of 305.38 g/mol, XLogP of 6.05, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene is sourced from PubChem (CID 118488485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).