7λ3-ioda-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

C21H12IN — CID 163445759

IUPAC7λ3-ioda-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
SMILESC1=Cc2c([nH]c3cc4c5c(cccc5c23)-c2ccccc2-4)I=C1
InChIInChI=1S/C21H12IN/c1-2-6-13-12(5-1)14-7-3-8-15-19(14)17(13)11-18-20(15)16-9-4-10-22-21(16)23-18/h1-11,23H
InChIKeyQXAMEXWIBIYHNJ-UHFFFAOYSA-N
MW405.24 g/mol
LogP5.94
Rot. Bonds

About 7λ3-ioda-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

7λ3-ioda-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 (PubChem CID 163445759) has the molecular formula C21H12IN and a molecular weight of 405.24 g/mol. Its IUPAC name is 7λ3-ioda-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.

Molecular Properties

Compound Name7λ3-ioda-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
PubChem CID163445759
Molecular FormulaC21H12IN
Molecular Weight405.24 g/mol
Exact Mass405.00
IUPAC Name7λ3-ioda-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
SMILESC1=Cc2c([nH]c3cc4c5c(cccc5c23)-c2ccccc2-4)I=C1
InChIInChI=1S/C21H12IN/c1-2-6-13-12(5-1)14-7-3-8-15-19(14)17(13)11-18-20(15)16-9-4-10-22-21(16)23-18/h1-11,23H
InChIKeyQXAMEXWIBIYHNJ-UHFFFAOYSA-N
XLogP5.94
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.24
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7λ3-ioda-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 with MolForge

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Related Compounds

7λ3-ioda-9-azanidahexacyclo[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 163445758
spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
CID 58390351
4-[12-(6-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)chrysen-6-yl]hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene
CID 59330314
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
1-fluoranthen-3-yl-9H-carbazole
CID 142752993
2-hydroxyfluoranthene-3-diazonium
CID 10490474
ethane;fluoranthene;triphenylene
CID 160720447
3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene
CID 162426849
fluoranthene
CID 139203734
21,27-diphenyl-3,7-diazaundecacyclo[26.10.1.19,16.02,26.04,25.06,23.08,22.010,15.032,39.033,38.020,40]tetraconta-1,4,6(23),8,10,12,14,16(40),17,19,21,24,26,28,30,32(39),33,35,37-nonadecaene
CID 134948663
methyl(16-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),2,4,6,8,10,12,14,18-nonaenylidene)oxidanium
CID 11760740
3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene
CID 59728635

Frequently Asked Questions

What is the IUPAC name of 7λ3-ioda-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?
The IUPAC name of 7λ3-ioda-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 163445759) is 7λ3-ioda-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.
What is the SMILES notation for 7λ3-ioda-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?
The canonical SMILES for 7λ3-ioda-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 is C1=Cc2c([nH]c3cc4c5c(cccc5c23)-c2ccccc2-4)I=C1.
What is the InChIKey of 7λ3-ioda-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?
The InChIKey is QXAMEXWIBIYHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12IN/c1-2-6-13-12(5-1)14-7-3-8-15-19(14)17(13)11-18-20(15)16-9-4-10-22-21(16)23-18/h1-11,23H.
What are the key properties of 7λ3-ioda-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?
7λ3-ioda-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 has a molecular weight of 405.24 g/mol, XLogP of 5.94, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7λ3-ioda-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 is sourced from PubChem (CID 163445759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).