3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C22H14N2 — CID 102175677

IUPAC3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3ccccc3c21
InChIInChI=1S/C22H14N2/c1-2-8-14-13(7-1)19-15-9-3-5-11-17(15)23-21(19)22-20(14)16-10-4-6-12-18(16)24-22/h1-12,23-24H
InChIKeyMXABANLZTYQLTA-UHFFFAOYSA-N
MW306.37 g/mol
LogP6.11
Rot. Bonds

About 3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 102175677) has the molecular formula C22H14N2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
PubChem CID102175677
Molecular FormulaC22H14N2
Molecular Weight306.37 g/mol
Exact Mass306.12
IUPAC Name3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3ccccc3c21
InChIInChI=1S/C22H14N2/c1-2-8-14-13(7-1)19-15-9-3-5-11-17(15)23-21(19)22-20(14)16-10-4-6-12-18(16)24-22/h1-12,23-24H
InChIKeyMXABANLZTYQLTA-UHFFFAOYSA-N
XLogP6.11
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.37
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene with MolForge

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Related Compounds

3,12,14,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-13-one
CID 10638837
11,12-dihydroindolo[2,3-a]carbazole-5,6-dicarbonitrile
CID 131849022
5,10-dihydroindolo[3,2-b]indole;molecular hydrogen
CID 145382713
6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione
CID 51038700
1,2,3,4-tetrabromo-9H-carbazole
CID 70631482
9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene
CID 137427285
13,29,45-trithia-10,26,42-triazatridecacyclo[32.14.0.02,17.03,11.04,9.012,16.018,33.019,27.020,25.028,32.035,43.036,41.044,48]octatetraconta-1(48),2,4,6,8,11,14,16,18,20,22,24,27,30,32,34,36,38,40,43,46-henicosaene
CID 58420654
9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 123987784
9H-carbazole
CID 66668984
4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,6,11,13,15,17-hexaene-3,5,8,10-tetrone
CID 10086414
4-(3-hydroxy-1,2-dimethyl-9H-carbazol-4-yl)-1,2-dimethyl-9H-carbazol-3-ol
CID 14526486
6,11-diphenyl-5H-benzo[b]carbazole
CID 10785338

Frequently Asked Questions

What is the IUPAC name of 3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The IUPAC name of 3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 102175677) is 3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The canonical SMILES for 3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is c1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3ccccc3c21.
What is the InChIKey of 3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The InChIKey is MXABANLZTYQLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2/c1-2-8-14-13(7-1)19-15-9-3-5-11-17(15)23-21(19)22-20(14)16-10-4-6-12-18(16)24-22/h1-12,23-24H.
What are the key properties of 3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 306.37 g/mol, XLogP of 6.11, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 102175677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).