24-iodo-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20-decaene

C22H14INO — CID 152784315

IUPAC24-iodo-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20-decaene
SMILESIN1c2c(c3ccccc3c3oc4ccccc4c23)C2=CC=CCC21
InChIInChI=1S/C22H14INO/c23-24-17-11-5-3-9-15(17)19-13-7-1-2-8-14(13)22-20(21(19)24)16-10-4-6-12-18(16)25-22/h1-10,12,17H,11H2
InChIKeyRULBHWOVILSRLP-UHFFFAOYSA-N
MW435.26 g/mol
LogP6.62
Rot. Bonds

About 24-iodo-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20-decaene

24-iodo-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20-decaene (PubChem CID 152784315) has the molecular formula C22H14INO and a molecular weight of 435.26 g/mol. Its IUPAC name is 24-iodo-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20-decaene.

Molecular Properties

Compound Name24-iodo-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20-decaene
PubChem CID152784315
Molecular FormulaC22H14INO
Molecular Weight435.26 g/mol
Exact Mass435.01
IUPAC Name24-iodo-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20-decaene
SMILESIN1c2c(c3ccccc3c3oc4ccccc4c23)C2=CC=CCC21
InChIInChI=1S/C22H14INO/c23-24-17-11-5-3-9-15(17)19-13-7-1-2-8-14(13)22-20(21(19)24)16-10-4-6-12-18(16)25-22/h1-10,12,17H,11H2
InChIKeyRULBHWOVILSRLP-UHFFFAOYSA-N
XLogP6.62
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.26
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 24-iodo-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-dibenzofuran-4-yl-9-phenyl-1,5,6,9a-tetrahydrocarbazole;ethane;7-phenyl-7-azabicyclo[4.1.0]hepta-1,3,5-triene
CID 145202831
N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
CID 169280437
4-(10-bromo-1,9a-dihydroanthracen-9-yl)dibenzofuran
CID 170227182
3-phenyl-9-[10-[9-[10-(6-phenyl-1,9a-dihydrocarbazol-9-yl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]carbazole
CID 163496635
9-dibenzofuran-2-yl-16-phenyl-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),19,21-decaene
CID 166764582
N,4-diphenyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]aniline
CID 169280400
6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
CID 163460893
19-phenyl-9-oxa-19-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 126737993
16-(10-phenylanthracen-9-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122426236
6-(10-naphthalen-2-ylanthracen-9-yl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene
CID 163952307
20-(10-phenylanthracen-9-yl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene
CID 163723862
16-[10-(4-phenylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122426254

Frequently Asked Questions

What is the IUPAC name of 24-iodo-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20-decaene?
The IUPAC name of 24-iodo-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20-decaene (CID 152784315) is 24-iodo-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20-decaene.
What is the SMILES notation for 24-iodo-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20-decaene?
The canonical SMILES for 24-iodo-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20-decaene is IN1c2c(c3ccccc3c3oc4ccccc4c23)C2=CC=CCC21.
What is the InChIKey of 24-iodo-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20-decaene?
The InChIKey is RULBHWOVILSRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14INO/c23-24-17-11-5-3-9-15(17)19-13-7-1-2-8-14(13)22-20(21(19)24)16-10-4-6-12-18(16)25-22/h1-10,12,17H,11H2.
What are the key properties of 24-iodo-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20-decaene?
24-iodo-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20-decaene has a molecular weight of 435.26 g/mol, XLogP of 6.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 24-iodo-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20-decaene is sourced from PubChem (CID 152784315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).