9-carbazol-9-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene

C38H23N3 — CID 134428706

About 9-carbazol-9-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene

9-carbazol-9-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene (PubChem CID 134428706) has the molecular formula C38H23N3 and a molecular weight of 521.62 g/mol. Its IUPAC name is 9-carbazol-9-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene.

Molecular Properties

• Compound Name: 9-carbazol-9-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene
• PubChem CID: 134428706
• Molecular Formula: C38H23N3
• Molecular Weight: 521.62 g/mol
• Exact Mass: 521.19
• IUPAC Name: 9-carbazol-9-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene
• SMILES: c1ccc2c(c1)-c1cccc(-n3c4ccccc4c4ccccc43)c1-c1ccccc1-c1cc3cccnc3nc1-2
• InChI: InChI=1S/C38H23N3/c1-3-16-29-26(13-1)32-23-24-11-10-22-39-38(24)40-37(32)31-17-4-2-12-25(31)30-18-9-21-35(36(29)30)41-33-19-7-5-14-27(33)28-15-6-8-20-34(28)41/h1-23H/b30-25-,32-26-,36-29+,37-31+
• InChIKey: JSZIEUOWDFOVGY-DTROEHKESA-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 9-carbazol-9-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene?

The IUPAC name of 9-carbazol-9-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene (CID 134428706) is 9-carbazol-9-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene.

What is the SMILES notation for 9-carbazol-9-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene?

The canonical SMILES for 9-carbazol-9-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene is c1ccc2c(c1)-c1cccc(-n3c4ccccc4c4ccccc43)c1-c1ccccc1-c1cc3cccnc3nc1-2.

What is the InChIKey of 9-carbazol-9-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene?

The InChIKey is JSZIEUOWDFOVGY-DTROEHKESA-N. The full InChI is InChI=1S/C38H23N3/c1-3-16-29-26(13-1)32-23-24-11-10-22-39-38(24)40-37(32)31-17-4-2-12-25(31)30-18-9-21-35(36(29)30)41-33-19-7-5-14-27(33)28-15-6-8-20-34(28)41/h1-23H/b30-25-,32-26-,36-29+,37-31+.

What are the key properties of 9-carbazol-9-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene?

9-carbazol-9-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-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 9-carbazol-9-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene is sourced from PubChem (CID 134428706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).