5,10-di(carbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene

C56H37N3O — CID 134428162

About 5,10-di(carbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene

5,10-di(carbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene (PubChem CID 134428162) has the molecular formula C56H37N3O and a molecular weight of 767.93 g/mol. Its IUPAC name is 5,10-di(carbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene.

Molecular Properties

• Compound Name: 5,10-di(carbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene
• PubChem CID: 134428162
• Molecular Formula: C56H37N3O
• Molecular Weight: 767.93 g/mol
• Exact Mass: 767.29
• IUPAC Name: 5,10-di(carbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene
• SMILES: c1ccc(N2CCOc3cc4c(cc32)-c2ccc(-n3c5ccccc5c5ccccc53)cc2-c2cc(-n3c5ccccc5c5ccccc53)ccc2-c2ccccc2-4)cc1
• InChI: InChI=1S/C56H37N3O/c1-2-14-36(15-3-1)57-30-31-60-56-35-50-40-17-5-4-16-39(40)41-28-26-37(58-51-22-10-6-18-43(51)44-19-7-11-23-52(44)58)32-47(41)48-33-38(27-29-42(48)49(50)34-55(56)57)59-53-24-12-8-20-45(53)46-21-9-13-25-54(46)59/h1-29,32-35H,30-31H2/b41-39-,48-47-,49-42-,50-40-
• InChIKey: BGDONEFKNCURMW-VIHUNEFLSA-N
• XLogP: 14.39
• TPSA: 22.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.93
LogP ≤ 5	14.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5,10-di(carbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene?

The IUPAC name of 5,10-di(carbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene (CID 134428162) is 5,10-di(carbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene.

What is the SMILES notation for 5,10-di(carbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene?

The canonical SMILES for 5,10-di(carbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene is c1ccc(N2CCOc3cc4c(cc32)-c2ccc(-n3c5ccccc5c5ccccc53)cc2-c2cc(-n3c5ccccc5c5ccccc53)ccc2-c2ccccc2-4)cc1.

What is the InChIKey of 5,10-di(carbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene?

The InChIKey is BGDONEFKNCURMW-VIHUNEFLSA-N. The full InChI is InChI=1S/C56H37N3O/c1-2-14-36(15-3-1)57-30-31-60-56-35-50-40-17-5-4-16-39(40)41-28-26-37(58-51-22-10-6-18-43(51)44-19-7-11-23-52(44)58)32-47(41)48-33-38(27-29-42(48)49(50)34-55(56)57)59-53-24-12-8-20-45(53)46-21-9-13-25-54(46)59/h1-29,32-35H,30-31H2/b41-39-,48-47-,49-42-,50-40-.

What are the key properties of 5,10-di(carbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene?

5,10-di(carbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene has a molecular weight of 767.93 g/mol, XLogP of 14.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10-di(carbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene is sourced from PubChem (CID 134428162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).