7-[5-[4-(11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)phenyl]-2-(9-phenylcarbazol-4-yl)phenyl]-12-[2-(9-phenylcarbazol-3-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

C82H48N6 — CID 163460513

About 7-[5-[4-(11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)phenyl]-2-(9-phenylcarbazol-4-yl)phenyl]-12-[2-(9-phenylcarbazol-3-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

7-[5-[4-(11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)phenyl]-2-(9-phenylcarbazol-4-yl)phenyl]-12-[2-(9-phenylcarbazol-3-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (PubChem CID 163460513) has the molecular formula C82H48N6 and a molecular weight of 1117.33 g/mol. Its IUPAC name is 7-[5-[4-(11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)phenyl]-2-(9-phenylcarbazol-4-yl)phenyl]-12-[2-(9-phenylcarbazol-3-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.

Molecular Properties

• Compound Name: 7-[5-[4-(11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)phenyl]-2-(9-phenylcarbazol-4-yl)phenyl]-12-[2-(9-phenylcarbazol-3-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
• PubChem CID: 163460513
• Molecular Formula: C82H48N6
• Molecular Weight: 1117.33 g/mol
• Exact Mass: 1116.39
• IUPAC Name: 7-[5-[4-(11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)phenyl]-2-(9-phenylcarbazol-4-yl)phenyl]-12-[2-(9-phenylcarbazol-3-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4ncc5c(n4)-c4cc(-c6cc(-c7ccc(-c8ncc9c(n8)-c8cccc%10cccc-9c8%10)cc7)ccc6-c6cccc7c6c6ccccc6n7-c6ccccc6)cc6cccc-5c46)ccc32)cc1
• InChI: InChI=1S/C82H48N6/c1-3-20-56(21-4-1)87-72-32-11-9-25-60(72)68-45-53(40-42-74(68)87)58-24-7-8-26-64(58)82-84-48-71-63-29-15-19-54-43-55(46-69(77(54)63)80(71)86-82)67-44-52(39-41-59(67)61-30-16-34-75-78(61)65-27-10-12-33-73(65)88(75)57-22-5-2-6-23-57)49-35-37-51(38-36-49)81-83-47-70-62-28-13-17-50-18-14-31-66(76(50)62)79(70)85-81/h1-48H
• InChIKey: BODVWWNQSNYOIF-UHFFFAOYSA-N
• XLogP: 21.06
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1117.33
LogP ≤ 5	21.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[5-[4-(11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)phenyl]-2-(9-phenylcarbazol-4-yl)phenyl]-12-[2-(9-phenylcarbazol-3-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?

The IUPAC name of 7-[5-[4-(11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)phenyl]-2-(9-phenylcarbazol-4-yl)phenyl]-12-[2-(9-phenylcarbazol-3-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (CID 163460513) is 7-[5-[4-(11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)phenyl]-2-(9-phenylcarbazol-4-yl)phenyl]-12-[2-(9-phenylcarbazol-3-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.

What is the SMILES notation for 7-[5-[4-(11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)phenyl]-2-(9-phenylcarbazol-4-yl)phenyl]-12-[2-(9-phenylcarbazol-3-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?

The canonical SMILES for 7-[5-[4-(11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)phenyl]-2-(9-phenylcarbazol-4-yl)phenyl]-12-[2-(9-phenylcarbazol-3-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is c1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4ncc5c(n4)-c4cc(-c6cc(-c7ccc(-c8ncc9c(n8)-c8cccc%10cccc-9c8%10)cc7)ccc6-c6cccc7c6c6ccccc6n7-c6ccccc6)cc6cccc-5c46)ccc32)cc1.

What is the InChIKey of 7-[5-[4-(11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)phenyl]-2-(9-phenylcarbazol-4-yl)phenyl]-12-[2-(9-phenylcarbazol-3-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?

The InChIKey is BODVWWNQSNYOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H48N6/c1-3-20-56(21-4-1)87-72-32-11-9-25-60(72)68-45-53(40-42-74(68)87)58-24-7-8-26-64(58)82-84-48-71-63-29-15-19-54-43-55(46-69(77(54)63)80(71)86-82)67-44-52(39-41-59(67)61-30-16-34-75-78(61)65-27-10-12-33-73(65)88(75)57-22-5-2-6-23-57)49-35-37-51(38-36-49)81-83-47-70-62-28-13-17-50-18-14-31-66(76(50)62)79(70)85-81/h1-48H.

What are the key properties of 7-[5-[4-(11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)phenyl]-2-(9-phenylcarbazol-4-yl)phenyl]-12-[2-(9-phenylcarbazol-3-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?

7-[5-[4-(11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)phenyl]-2-(9-phenylcarbazol-4-yl)phenyl]-12-[2-(9-phenylcarbazol-3-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene has a molecular weight of 1117.33 g/mol, XLogP of 21.06, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-[4-(11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)phenyl]-2-(9-phenylcarbazol-4-yl)phenyl]-12-[2-(9-phenylcarbazol-3-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is sourced from PubChem (CID 163460513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).