17-carbazol-9-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene

C38H23N3 — CID 134428780

About 17-carbazol-9-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene

17-carbazol-9-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene (PubChem CID 134428780) has the molecular formula C38H23N3 and a molecular weight of 521.62 g/mol. Its IUPAC name is 17-carbazol-9-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene.

Molecular Properties

• Compound Name: 17-carbazol-9-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene
• PubChem CID: 134428780
• Molecular Formula: C38H23N3
• Molecular Weight: 521.62 g/mol
• Exact Mass: 521.19
• IUPAC Name: 17-carbazol-9-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene
• SMILES: c1ccc2c(c1)-c1ccccc1-c1ccc3nccnc3c1-c1cc(-n3c4ccccc4c4ccccc43)ccc1-2
• InChI: InChI=1S/C38H23N3/c1-2-11-27-25(9-1)26-10-3-4-12-28(26)32-19-20-34-38(40-22-21-39-34)37(32)33-23-24(17-18-29(27)33)41-35-15-7-5-13-30(35)31-14-6-8-16-36(31)41/h1-23H/b26-25-,29-27-,32-28-,37-33+
• InChIKey: UGRTUTMXSQTAEU-OQVCPUPJSA-N
• XLogP: 9.71
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.62
LogP ≤ 5	9.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 17-carbazol-9-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene?

The IUPAC name of 17-carbazol-9-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene (CID 134428780) is 17-carbazol-9-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene.

What is the SMILES notation for 17-carbazol-9-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene?

The canonical SMILES for 17-carbazol-9-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene is c1ccc2c(c1)-c1ccccc1-c1ccc3nccnc3c1-c1cc(-n3c4ccccc4c4ccccc43)ccc1-2.

What is the InChIKey of 17-carbazol-9-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene?

The InChIKey is UGRTUTMXSQTAEU-OQVCPUPJSA-N. The full InChI is InChI=1S/C38H23N3/c1-2-11-27-25(9-1)26-10-3-4-12-28(26)32-19-20-34-38(40-22-21-39-34)37(32)33-23-24(17-18-29(27)33)41-35-15-7-5-13-30(35)31-14-6-8-16-36(31)41/h1-23H/b26-25-,29-27-,32-28-,37-33+.

What are the key properties of 17-carbazol-9-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene?

17-carbazol-9-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene has a molecular weight of 521.62 g/mol, XLogP of 9.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 17-carbazol-9-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene is sourced from PubChem (CID 134428780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).