12-carbazol-9-yl-22,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene

C38H23N3 — CID 137294942

About 12-carbazol-9-yl-22,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene

12-carbazol-9-yl-22,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene (PubChem CID 137294942) has the molecular formula C38H23N3 and a molecular weight of 521.62 g/mol. Its IUPAC name is 12-carbazol-9-yl-22,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene.

Molecular Properties

• Compound Name: 12-carbazol-9-yl-22,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene
• PubChem CID: 137294942
• Molecular Formula: C38H23N3
• Molecular Weight: 521.62 g/mol
• Exact Mass: 521.19
• IUPAC Name: 12-carbazol-9-yl-22,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene
• SMILES: c1ccc2c(c1)-c1cccc(-n3c4ccccc4c4ccccc43)c1-c1ccccc1-c1c-2cnc2cccnc12
• InChI: InChI=1S/C38H23N3/c1-2-12-25-24(11-1)28-17-9-21-35(41-33-19-7-5-13-26(33)27-14-6-8-20-34(27)41)36(28)29-15-3-4-16-30(29)37-31(25)23-40-32-18-10-22-39-38(32)37/h1-23H/b28-24-,31-25-,36-29+,37-30+
• InChIKey: AXIATUMCHADGOR-YCPSVYDHSA-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 12-carbazol-9-yl-22,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene?

The IUPAC name of 12-carbazol-9-yl-22,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene (CID 137294942) is 12-carbazol-9-yl-22,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene.

What is the SMILES notation for 12-carbazol-9-yl-22,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene?

The canonical SMILES for 12-carbazol-9-yl-22,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene is c1ccc2c(c1)-c1cccc(-n3c4ccccc4c4ccccc43)c1-c1ccccc1-c1c-2cnc2cccnc12.

What is the InChIKey of 12-carbazol-9-yl-22,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene?

The InChIKey is AXIATUMCHADGOR-YCPSVYDHSA-N. The full InChI is InChI=1S/C38H23N3/c1-2-12-25-24(11-1)28-17-9-21-35(41-33-19-7-5-13-26(33)27-14-6-8-20-34(27)41)36(28)29-15-3-4-16-30(29)37-31(25)23-40-32-18-10-22-39-38(32)37/h1-23H/b28-24-,31-25-,36-29+,37-30+.

What are the key properties of 12-carbazol-9-yl-22,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene?

12-carbazol-9-yl-22,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-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 12-carbazol-9-yl-22,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene is sourced from PubChem (CID 137294942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).