10-carbazol-9-yl-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22(27),24-tridecaene

C44H28N2O — CID 134428276

About 10-carbazol-9-yl-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22(27),24-tridecaene

10-carbazol-9-yl-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22(27),24-tridecaene (PubChem CID 134428276) has the molecular formula C44H28N2O and a molecular weight of 600.72 g/mol. Its IUPAC name is 10-carbazol-9-yl-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22(27),24-tridecaene.

Molecular Properties

• Compound Name: 10-carbazol-9-yl-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22(27),24-tridecaene
• PubChem CID: 134428276
• Molecular Formula: C44H28N2O
• Molecular Weight: 600.72 g/mol
• Exact Mass: 600.22
• IUPAC Name: 10-carbazol-9-yl-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22(27),24-tridecaene
• SMILES: c1ccc(-n2ccoc3cc4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc5c5ccccc5c4cc32)cc1
• InChI: InChI=1S/C44H28N2O/c1-2-12-29(13-3-1)45-24-25-47-44-28-40-32-15-5-4-14-31(32)35-23-22-30(26-38(35)33-16-6-7-17-34(33)39(40)27-43(44)45)46-41-20-10-8-18-36(41)37-19-9-11-21-42(37)46/h1-28H/b35-31-,38-33-,39-34-,40-32-
• InChIKey: SXQRZOMRKFMRQQ-RBNMLYERSA-N
• XLogP: 12.06
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.72
LogP ≤ 5	12.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 10-carbazol-9-yl-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22(27),24-tridecaene?

The IUPAC name of 10-carbazol-9-yl-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22(27),24-tridecaene (CID 134428276) is 10-carbazol-9-yl-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22(27),24-tridecaene.

What is the SMILES notation for 10-carbazol-9-yl-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22(27),24-tridecaene?

The canonical SMILES for 10-carbazol-9-yl-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22(27),24-tridecaene is c1ccc(-n2ccoc3cc4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc5c5ccccc5c4cc32)cc1.

What is the InChIKey of 10-carbazol-9-yl-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22(27),24-tridecaene?

The InChIKey is SXQRZOMRKFMRQQ-RBNMLYERSA-N. The full InChI is InChI=1S/C44H28N2O/c1-2-12-29(13-3-1)45-24-25-47-44-28-40-32-15-5-4-14-31(32)35-23-22-30(26-38(35)33-16-6-7-17-34(33)39(40)27-43(44)45)46-41-20-10-8-18-36(41)37-19-9-11-21-42(37)46/h1-28H/b35-31-,38-33-,39-34-,40-32-.

What are the key properties of 10-carbazol-9-yl-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22(27),24-tridecaene?

10-carbazol-9-yl-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22(27),24-tridecaene has a molecular weight of 600.72 g/mol, XLogP of 12.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-carbazol-9-yl-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22(27),24-tridecaene is sourced from PubChem (CID 134428276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).