24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaen-13-amine

C24H15NO — CID 45276365

IUPAC24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaen-13-amine
SMILESNc1cc2ccc3ccccc3c2c2c1ccc1c3ccccc3oc12
InChIInChI=1S/C24H15NO/c25-20-13-15-10-9-14-5-1-2-6-16(14)22(15)23-19(20)12-11-18-17-7-3-4-8-21(17)26-24(18)23/h1-13H,25H2
InChIKeyFHOFMQCZJNGJFE-UHFFFAOYSA-N
MW333.39 g/mol
LogP6.63
Rot. Bonds

About 24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaen-13-amine

24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaen-13-amine (PubChem CID 45276365) has the molecular formula C24H15NO and a molecular weight of 333.39 g/mol. Its IUPAC name is 24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaen-13-amine.

Molecular Properties

Compound Name24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaen-13-amine
PubChem CID45276365
Molecular FormulaC24H15NO
Molecular Weight333.39 g/mol
Exact Mass333.12
IUPAC Name24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaen-13-amine
SMILESNc1cc2ccc3ccccc3c2c2c1ccc1c3ccccc3oc12
InChIInChI=1S/C24H15NO/c25-20-13-15-10-9-14-5-1-2-6-16(14)22(15)23-19(20)12-11-18-17-7-3-4-8-21(17)26-24(18)23/h1-13H,25H2
InChIKeyFHOFMQCZJNGJFE-UHFFFAOYSA-N
XLogP6.63
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaen-13-amine with MolForge

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Related Compounds

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CID 118131021
12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-5-amine
CID 176729847
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3-dibenzofuran-4-ylnaphthalen-1-amine
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3-bromophenanthro[1,2-b][1]benzofuran
CID 132507376
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CID 174289738
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CID 146658795
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CID 139341199
4,15,27,38-tetraoxatridecacyclo[23.21.1.12,13.03,11.05,10.014,22.016,21.026,34.028,33.036,47.037,45.039,44.024,48]octatetraconta-1(47),2,5,7,9,11,13,16,18,20,22,24(48),25,28,30,32,34,36,39,41,43,45-docosaene
CID 90365819
31-oxa-1,5-diazadodecacyclo[22.17.1.15,16.02,23.04,21.06,15.09,14.028,42.029,41.030,38.032,37.020,43]tritetraconta-2(23),3,6(15),7,9,11,13,16,18,20(43),21,24(42),25,27,29(41),30(38),32,34,36,39-icosaene
CID 162480140
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CID 142749742
naphtho[1,2-c]chromen-5-one
CID 102526290

Frequently Asked Questions

What is the IUPAC name of 24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaen-13-amine?
The IUPAC name of 24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaen-13-amine (CID 45276365) is 24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaen-13-amine.
What is the SMILES notation for 24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaen-13-amine?
The canonical SMILES for 24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaen-13-amine is Nc1cc2ccc3ccccc3c2c2c1ccc1c3ccccc3oc12.
What is the InChIKey of 24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaen-13-amine?
The InChIKey is FHOFMQCZJNGJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO/c25-20-13-15-10-9-14-5-1-2-6-16(14)22(15)23-19(20)12-11-18-17-7-3-4-8-21(17)26-24(18)23/h1-13H,25H2.
What are the key properties of 24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaen-13-amine?
24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaen-13-amine has a molecular weight of 333.39 g/mol, XLogP of 6.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaen-13-amine is sourced from PubChem (CID 45276365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).