17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene

C24H15N — CID 164721462

IUPAC17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene
SMILESc1ccc2c(c1)ccc1ccc3cc4[nH]c5ccccc5c4cc3c12
InChIInChI=1S/C24H15N/c1-2-6-18-15(5-1)9-10-16-11-12-17-13-23-21(14-20(17)24(16)18)19-7-3-4-8-22(19)25-23/h1-14,25H
InChIKeyHQTQUJAINQFPAV-UHFFFAOYSA-N
MW317.39 g/mol
LogP6.78
Rot. Bonds

About 17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene

17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene (PubChem CID 164721462) has the molecular formula C24H15N and a molecular weight of 317.39 g/mol. Its IUPAC name is 17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene.

Molecular Properties

Compound Name17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene
PubChem CID164721462
Molecular FormulaC24H15N
Molecular Weight317.39 g/mol
Exact Mass317.12
IUPAC Name17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene
SMILESc1ccc2c(c1)ccc1ccc3cc4[nH]c5ccccc5c4cc3c12
InChIInChI=1S/C24H15N/c1-2-6-18-15(5-1)9-10-16-11-12-17-13-23-21(14-20(17)24(16)18)19-7-3-4-8-22(19)25-23/h1-14,25H
InChIKeyHQTQUJAINQFPAV-UHFFFAOYSA-N
XLogP6.78
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene with MolForge

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Related Compounds

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CID 90238864
11,20-diazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(28),2,4(12),5,7,9,13,15,17,19(27),21,23,25-tridecaene
CID 102495063
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CID 159182554
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
23-azaoctacyclo[16.15.0.02,15.05,14.06,11.021,33.022,30.024,29]tritriaconta-1(18),2(15),3,5(14),6,8,10,12,16,19,21(33),22(30),24,26,28,31-hexadecaene
CID 141416725
1,5,28-triazaundecacyclo[19.17.3.02,14.04,12.06,11.015,39.018,40.022,27.028,41.029,38.031,36]hentetraconta-2(14),3,6,8,10,12,15(39),16,18(40),19,21(41),22,24,26,29,31,33,35,37-nonadecaene
CID 154967815
3-(6-phenylpyren-1-yl)-9H-carbazole
CID 134424912
12-(9H-carbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118535722
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benzo[c]phenanthrene;tris(triphenylene)
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CID 146369031

Frequently Asked Questions

What is the IUPAC name of 17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene?
The IUPAC name of 17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene (CID 164721462) is 17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene.
What is the SMILES notation for 17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene?
The canonical SMILES for 17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene is c1ccc2c(c1)ccc1ccc3cc4[nH]c5ccccc5c4cc3c12.
What is the InChIKey of 17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene?
The InChIKey is HQTQUJAINQFPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N/c1-2-6-18-15(5-1)9-10-16-11-12-17-13-23-21(14-20(17)24(16)18)19-7-3-4-8-22(19)25-23/h1-14,25H.
What are the key properties of 17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene?
17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene has a molecular weight of 317.39 g/mol, XLogP of 6.78, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene is sourced from PubChem (CID 164721462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).