4-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene

C39H28N2 — CID 59319002

IUPAC4-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene
SMILESCc1ccc2c(c1)c(-c1ccc3c(c1)-c1ncccc1C3(C)C)cc1c3ccc(C)c4c3c(cc21)-c1ncccc1-4
InChIInChI=1S/C39H28N2/c1-21-9-12-24-28(17-21)27(23-11-14-33-31(18-23)38-34(39(33,3)4)8-6-16-41-38)19-30-25-13-10-22(2)35-26-7-5-15-40-37(26)32(36(25)35)20-29(24)30/h5-20H,1-4H3
InChIKeyZBEQIGJOQQOJOU-UHFFFAOYSA-N
MW524.67 g/mol
LogP10.17
Rot. Bonds1

About 4-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene

4-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene (PubChem CID 59319002) has the molecular formula C39H28N2 and a molecular weight of 524.67 g/mol. Its IUPAC name is 4-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene.

Molecular Properties

Compound Name4-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene
PubChem CID59319002
Molecular FormulaC39H28N2
Molecular Weight524.67 g/mol
Exact Mass524.23
IUPAC Name4-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene
SMILESCc1ccc2c(c1)c(-c1ccc3c(c1)-c1ncccc1C3(C)C)cc1c3ccc(C)c4c3c(cc21)-c1ncccc1-4
InChIInChI=1S/C39H28N2/c1-21-9-12-24-28(17-21)27(23-11-14-33-31(18-23)38-34(39(33,3)4)8-6-16-41-38)19-30-25-13-10-22(2)35-26-7-5-15-40-37(26)32(36(25)35)20-29(24)30/h5-20H,1-4H3
InChIKeyZBEQIGJOQQOJOU-UHFFFAOYSA-N
XLogP10.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 510.17
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-8-yl)-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(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-8-yl)-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene?
The IUPAC name of 4-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene (CID 59319002) is 4-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene.
What is the SMILES notation for 4-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene?
The canonical SMILES for 4-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene is Cc1ccc2c(c1)c(-c1ccc3c(c1)-c1ncccc1C3(C)C)cc1c3ccc(C)c4c3c(cc21)-c1ncccc1-4.
What is the InChIKey of 4-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene?
The InChIKey is ZBEQIGJOQQOJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N2/c1-21-9-12-24-28(17-21)27(23-11-14-33-31(18-23)38-34(39(33,3)4)8-6-16-41-38)19-30-25-13-10-22(2)35-26-7-5-15-40-37(26)32(36(25)35)20-29(24)30/h5-20H,1-4H3.
What are the key properties of 4-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene?
4-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene has a molecular weight of 524.67 g/mol, XLogP of 10.17, 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-8-yl)-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene is sourced from PubChem (CID 59319002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).