6,8,28,28-tetramethyl-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene

C32H25N — CID 176880757

IUPAC6,8,28,28-tetramethyl-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
SMILESCc1cc(C)c2ccc3c4ccnc5c4c(cc3c2c1)C(C)(C)c1cc2ccccc2cc1-5
InChIInChI=1S/C32H25N/c1-18-13-19(2)22-9-10-23-24-11-12-33-31-27-15-20-7-5-6-8-21(20)16-28(27)32(3,4)29(30(24)31)17-26(23)25(22)14-18/h5-17H,1-4H3
InChIKeyHAJQKJBJBZIFAR-UHFFFAOYSA-N
MW423.56 g/mol
LogP8.62
Rot. Bonds

About 6,8,28,28-tetramethyl-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene

6,8,28,28-tetramethyl-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene (PubChem CID 176880757) has the molecular formula C32H25N and a molecular weight of 423.56 g/mol. Its IUPAC name is 6,8,28,28-tetramethyl-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene.

Molecular Properties

Compound Name6,8,28,28-tetramethyl-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
PubChem CID176880757
Molecular FormulaC32H25N
Molecular Weight423.56 g/mol
Exact Mass423.20
IUPAC Name6,8,28,28-tetramethyl-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
SMILESCc1cc(C)c2ccc3c4ccnc5c4c(cc3c2c1)C(C)(C)c1cc2ccccc2cc1-5
InChIInChI=1S/C32H25N/c1-18-13-19(2)22-9-10-23-24-11-12-33-31-27-15-20-7-5-6-8-21(20)16-28(27)32(3,4)29(30(24)31)17-26(23)25(22)14-18/h5-17H,1-4H3
InChIKeyHAJQKJBJBZIFAR-UHFFFAOYSA-N
XLogP8.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6,8,28,28-tetramethyl-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,8,28,28-tetramethyl-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene?
The IUPAC name of 6,8,28,28-tetramethyl-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene (CID 176880757) is 6,8,28,28-tetramethyl-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene.
What is the SMILES notation for 6,8,28,28-tetramethyl-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene?
The canonical SMILES for 6,8,28,28-tetramethyl-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene is Cc1cc(C)c2ccc3c4ccnc5c4c(cc3c2c1)C(C)(C)c1cc2ccccc2cc1-5.
What is the InChIKey of 6,8,28,28-tetramethyl-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene?
The InChIKey is HAJQKJBJBZIFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N/c1-18-13-19(2)22-9-10-23-24-11-12-33-31-27-15-20-7-5-6-8-21(20)16-28(27)32(3,4)29(30(24)31)17-26(23)25(22)14-18/h5-17H,1-4H3.
What are the key properties of 6,8,28,28-tetramethyl-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene?
6,8,28,28-tetramethyl-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene has a molecular weight of 423.56 g/mol, XLogP of 8.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,28,28-tetramethyl-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene is sourced from PubChem (CID 176880757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).