15-dibenzofuran-4-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene

C38H22N2O — CID 134428755

About 15-dibenzofuran-4-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene

15-dibenzofuran-4-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene (PubChem CID 134428755) has the molecular formula C38H22N2O and a molecular weight of 522.61 g/mol. Its IUPAC name is 15-dibenzofuran-4-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene.

Molecular Properties

• Compound Name: 15-dibenzofuran-4-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
• PubChem CID: 134428755
• Molecular Formula: C38H22N2O
• Molecular Weight: 522.61 g/mol
• Exact Mass: 522.17
• IUPAC Name: 15-dibenzofuran-4-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
• SMILES: c1ccc2c(c1)-c1ccccc1-c1c(cccc1-c1cccc3c1oc1ccccc13)-c1c-2cnc2ncccc12
• InChI: InChI=1S/C38H22N2O/c1-2-12-25-23(10-1)24-11-3-4-14-27(24)35-28(30-17-8-16-29-26-13-5-6-20-34(26)41-37(29)30)15-7-18-31(35)36-32-19-9-21-39-38(32)40-22-33(25)36/h1-22H/b24-23-,33-25-,35-27-,36-31-
• InChIKey: SNTGDPSMYTTYMG-NVTODULCSA-N
• XLogP: 10.18
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.61
LogP ≤ 5	10.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 15-dibenzofuran-4-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene?

The IUPAC name of 15-dibenzofuran-4-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene (CID 134428755) is 15-dibenzofuran-4-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene.

What is the SMILES notation for 15-dibenzofuran-4-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene?

The canonical SMILES for 15-dibenzofuran-4-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene is c1ccc2c(c1)-c1ccccc1-c1c(cccc1-c1cccc3c1oc1ccccc13)-c1c-2cnc2ncccc12.

What is the InChIKey of 15-dibenzofuran-4-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene?

The InChIKey is SNTGDPSMYTTYMG-NVTODULCSA-N. The full InChI is InChI=1S/C38H22N2O/c1-2-12-25-23(10-1)24-11-3-4-14-27(24)35-28(30-17-8-16-29-26-13-5-6-20-34(26)41-37(29)30)15-7-18-31(35)36-32-19-9-21-39-38(32)40-22-33(25)36/h1-22H/b24-23-,33-25-,35-27-,36-31-.

What are the key properties of 15-dibenzofuran-4-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene?

15-dibenzofuran-4-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene has a molecular weight of 522.61 g/mol, XLogP of 10.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 15-dibenzofuran-4-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene is sourced from PubChem (CID 134428755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).