4-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene

C37H24N2 — CID 59319024

IUPAC4-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
SMILESCC1(C)c2ccccc2-c2nccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ncccc3-6)c21
InChIInChI=1S/C37H24N2/c1-37(2)32-15-6-5-11-27(32)36-34(37)25(16-18-39-36)28-19-30-24-13-7-12-23-26-14-8-17-38-35(26)31(33(23)24)20-29(30)22-10-4-3-9-21(22)28/h3-20H,1-2H3
InChIKeyZUNMYPSLKBXGIN-UHFFFAOYSA-N
MW496.61 g/mol
LogP9.56
Rot. Bonds1

About 4-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene

4-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene (PubChem CID 59319024) has the molecular formula C37H24N2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 4-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene.

Molecular Properties

Compound Name4-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
PubChem CID59319024
Molecular FormulaC37H24N2
Molecular Weight496.61 g/mol
Exact Mass496.19
IUPAC Name4-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
SMILESCC1(C)c2ccccc2-c2nccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ncccc3-6)c21
InChIInChI=1S/C37H24N2/c1-37(2)32-15-6-5-11-27(32)36-34(37)25(16-18-39-36)28-19-30-24-13-7-12-23-26-14-8-17-38-35(26)31(33(23)24)20-29(30)22-10-4-3-9-21(22)28/h3-20H,1-2H3
InChIKeyZUNMYPSLKBXGIN-UHFFFAOYSA-N
XLogP9.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene?
The IUPAC name of 4-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene (CID 59319024) is 4-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene.
What is the SMILES notation for 4-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene?
The canonical SMILES for 4-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene is CC1(C)c2ccccc2-c2nccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ncccc3-6)c21.
What is the InChIKey of 4-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene?
The InChIKey is ZUNMYPSLKBXGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2/c1-37(2)32-15-6-5-11-27(32)36-34(37)25(16-18-39-36)28-19-30-24-13-7-12-23-26-14-8-17-38-35(26)31(33(23)24)20-29(30)22-10-4-3-9-21(22)28/h3-20H,1-2H3.
What are the key properties of 4-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene?
4-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene has a molecular weight of 496.61 g/mol, XLogP of 9.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethylindeno[1,2-b]pyridin-4-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene is sourced from PubChem (CID 59319024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).