24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene

C23H15N — CID 158281474

IUPAC24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene
SMILESc1ccc2c(c1)Cc1ccc3c4ccccc4c4cccn4c3c1-2
InChIInChI=1S/C23H15N/c1-2-7-17-15(6-1)14-16-11-12-20-18-8-3-4-9-19(18)21-10-5-13-24(21)23(20)22(16)17/h1-13H,14H2
InChIKeyNIQFVMQVXJGHSM-UHFFFAOYSA-N
MW305.38 g/mol
LogP5.82
Rot. Bonds

About 24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene

24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene (PubChem CID 158281474) has the molecular formula C23H15N and a molecular weight of 305.38 g/mol. Its IUPAC name is 24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene.

Molecular Properties

Compound Name24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene
PubChem CID158281474
Molecular FormulaC23H15N
Molecular Weight305.38 g/mol
Exact Mass305.12
IUPAC Name24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene
SMILESc1ccc2c(c1)Cc1ccc3c4ccccc4c4cccn4c3c1-2
InChIInChI=1S/C23H15N/c1-2-7-17-15(6-1)14-16-11-12-20-18-8-3-4-9-19(18)21-10-5-13-24(21)23(20)22(16)17/h1-13H,14H2
InChIKeyNIQFVMQVXJGHSM-UHFFFAOYSA-N
XLogP5.82
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene with MolForge

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Related Compounds

2-azahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7,9,11,14,16,18,20,23-undecaene;24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene;24-azahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;19-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,15,17,21(29),23,25,27,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,5(13),6,8,10,15,17,21(29),22,24,26,30-tetradecaene;ethane;methane
CID 158281471
7-azaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3,5,8,10,12,15,19,21(29),22,24,26,30-tetradecaene
CID 157186918
12-propan-2-yl-7H-indeno[1,2-a]carbazole
CID 129063021
19-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,15,17,21(29),23,25,27,30-tetradecaene
CID 158281476
12-(4-methylphenyl)-7H-indeno[1,2-a]carbazole
CID 159826504
15-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5(13),6,8,10,16,18,21(29),23,25,27,30-tetradecaene
CID 157307894
15-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.022,30.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,16,18,21,23,25,27,30-tetradecaene;15-azaoctacyclo[18.11.0.02,14.04,12.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,6,8,10,12,16,18,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.021,29.022,27]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.022,30.024,29]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21,24,26,28,30-tetradecaene;ethane;methane
CID 157310207
14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
CID 162093408
4,7-diazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),3,5,8,10,12,15,18(30),19(27),20,22,24,28-tetradecaene
CID 161060801
15-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.022,30.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,16,18,21,23,25,27,30-tetradecaene
CID 157310210
12-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7H-indeno[1,2-a]carbazole
CID 169058434
1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaene;1-azaheptacyclo[13.10.1.02,14.03,11.05,10.019,26.020,25]hexacosa-2(14),3(11),5,7,9,12,15,17,19(26),20,22,24-dodecaene;1-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene;15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene
CID 158806494

Frequently Asked Questions

What is the IUPAC name of 24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene?
The IUPAC name of 24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene (CID 158281474) is 24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene.
What is the SMILES notation for 24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene?
The canonical SMILES for 24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene is c1ccc2c(c1)Cc1ccc3c4ccccc4c4cccn4c3c1-2.
What is the InChIKey of 24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene?
The InChIKey is NIQFVMQVXJGHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N/c1-2-7-17-15(6-1)14-16-11-12-20-18-8-3-4-9-19(18)21-10-5-13-24(21)23(20)22(16)17/h1-13H,14H2.
What are the key properties of 24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene?
24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene has a molecular weight of 305.38 g/mol, XLogP of 5.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene is sourced from PubChem (CID 158281474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).