10-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 134428704

About 10-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

10-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 134428704) has the molecular formula C38H23N3 and a molecular weight of 521.62 g/mol. Its IUPAC name is 10-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: 10-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: 134428704
• Molecular Formula: C38H23N3
• Molecular Weight: 521.62 g/mol
• Exact Mass: 521.19
• IUPAC Name: 10-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)-c1cc(-n3c4ccccc4c4ccccc43)ccc1-c1ccccc1-c1nc3ncccc3cc1-2
• InChI: InChI=1S/C38H23N3/c1-2-13-28-27(12-1)33-23-25(41-35-17-7-5-14-30(35)31-15-6-8-18-36(31)41)19-20-29(33)26-11-3-4-16-32(26)37-34(28)22-24-10-9-21-39-38(24)40-37/h1-23H/b29-26-,33-27-,34-28-,37-32+
• InChIKey: BUJBREFIXYUGGT-LPPUKYPDSA-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 10-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 10-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 134428704) is 10-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 10-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 10-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)-c1cc(-n3c4ccccc4c4ccccc43)ccc1-c1ccccc1-c1nc3ncccc3cc1-2.

What is the InChIKey of 10-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 BUJBREFIXYUGGT-LPPUKYPDSA-N. The full InChI is InChI=1S/C38H23N3/c1-2-13-28-27(12-1)33-23-25(41-35-17-7-5-14-30(35)31-15-6-8-18-36(31)41)19-20-29(33)26-11-3-4-16-32(26)37-34(28)22-24-10-9-21-39-38(24)40-37/h1-23H/b29-26-,33-27-,34-28-,37-32+.

What are the key properties of 10-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?

10-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 10-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 134428704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).