10-azahexacyclo[15.3.1.115,19.02,14.03,11.04,9]docosa-2(14),3(11),4,6,8,12-hexaene

C21H21N — CID 134249761

IUPAC10-azahexacyclo[15.3.1.115,19.02,14.03,11.04,9]docosa-2(14),3(11),4,6,8,12-hexaene
SMILESc1ccc2c(c1)[nH]c1ccc3c(c12)C1CC2CC(CC3C2)C1
InChIInChI=1S/C21H21N/c1-2-4-18-17(3-1)21-19(22-18)6-5-16-14-8-12-7-13(9-14)11-15(10-12)20(16)21/h1-6,12-15,22H,7-11H2
InChIKeyAWCQBIATTLEKCA-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.71
Rot. Bonds

About 10-azahexacyclo[15.3.1.115,19.02,14.03,11.04,9]docosa-2(14),3(11),4,6,8,12-hexaene

10-azahexacyclo[15.3.1.115,19.02,14.03,11.04,9]docosa-2(14),3(11),4,6,8,12-hexaene (PubChem CID 134249761) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 10-azahexacyclo[15.3.1.115,19.02,14.03,11.04,9]docosa-2(14),3(11),4,6,8,12-hexaene.

Molecular Properties

Compound Name10-azahexacyclo[15.3.1.115,19.02,14.03,11.04,9]docosa-2(14),3(11),4,6,8,12-hexaene
PubChem CID134249761
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name10-azahexacyclo[15.3.1.115,19.02,14.03,11.04,9]docosa-2(14),3(11),4,6,8,12-hexaene
SMILESc1ccc2c(c1)[nH]c1ccc3c(c12)C1CC2CC(CC3C2)C1
InChIInChI=1S/C21H21N/c1-2-4-18-17(3-1)21-19(22-18)6-5-16-14-8-12-7-13(9-14)11-15(10-12)20(16)21/h1-6,12-15,22H,7-11H2
InChIKeyAWCQBIATTLEKCA-UHFFFAOYSA-N
XLogP5.71
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 10-azahexacyclo[15.3.1.115,19.02,14.03,11.04,9]docosa-2(14),3(11),4,6,8,12-hexaene with MolForge

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Related Compounds

CID 66993330
CID 66993330
9H-carbazole
CID 66668984
1,2-dicyclopropyl-9H-carbazole
CID 152677747
1-methoxy-2,6-dihydro-1H-cyclopenta[c]carbazol-3-one
CID 141373076
9,13-diazatetracyclo[9.3.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
CID 59837844
4-phenyl-9H-carbazole
CID 22990274
5-methyl-7-azahexacyclo[16.3.1.116,20.02,15.03,12.06,11]tricosa-2(15),3(12),4,6(11),7,9,13-heptaene
CID 134249762
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437
N-(10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-ylidene)hydroxylamine
CID 168933151
3-methyl-9H-carbazol-4-ol
CID 11116991
3-cyclopropyl-9H-carbazole
CID 144848262

Frequently Asked Questions

What is the IUPAC name of 10-azahexacyclo[15.3.1.115,19.02,14.03,11.04,9]docosa-2(14),3(11),4,6,8,12-hexaene?
The IUPAC name of 10-azahexacyclo[15.3.1.115,19.02,14.03,11.04,9]docosa-2(14),3(11),4,6,8,12-hexaene (CID 134249761) is 10-azahexacyclo[15.3.1.115,19.02,14.03,11.04,9]docosa-2(14),3(11),4,6,8,12-hexaene.
What is the SMILES notation for 10-azahexacyclo[15.3.1.115,19.02,14.03,11.04,9]docosa-2(14),3(11),4,6,8,12-hexaene?
The canonical SMILES for 10-azahexacyclo[15.3.1.115,19.02,14.03,11.04,9]docosa-2(14),3(11),4,6,8,12-hexaene is c1ccc2c(c1)[nH]c1ccc3c(c12)C1CC2CC(CC3C2)C1.
What is the InChIKey of 10-azahexacyclo[15.3.1.115,19.02,14.03,11.04,9]docosa-2(14),3(11),4,6,8,12-hexaene?
The InChIKey is AWCQBIATTLEKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-2-4-18-17(3-1)21-19(22-18)6-5-16-14-8-12-7-13(9-14)11-15(10-12)20(16)21/h1-6,12-15,22H,7-11H2.
What are the key properties of 10-azahexacyclo[15.3.1.115,19.02,14.03,11.04,9]docosa-2(14),3(11),4,6,8,12-hexaene?
10-azahexacyclo[15.3.1.115,19.02,14.03,11.04,9]docosa-2(14),3(11),4,6,8,12-hexaene has a molecular weight of 287.41 g/mol, XLogP of 5.71, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azahexacyclo[15.3.1.115,19.02,14.03,11.04,9]docosa-2(14),3(11),4,6,8,12-hexaene is sourced from PubChem (CID 134249761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).