12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene

C44H26N4 — CID 130326495

About 12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene

12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene (PubChem CID 130326495) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene.

Molecular Properties

• Compound Name: 12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene
• PubChem CID: 130326495
• Molecular Formula: C44H26N4
• Molecular Weight: 610.72 g/mol
• Exact Mass: 610.22
• IUPAC Name: 12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(n4)-c4cccc6nccc-5c46)ccc32)cc1
• InChI: InChI=1S/C44H26N4/c1-2-9-29(10-3-1)47-38-15-6-4-11-30(38)35-25-27(17-20-40(35)47)28-18-21-41-36(26-28)31-12-5-7-16-39(31)48(41)42-22-19-33-32-23-24-45-37-14-8-13-34(43(32)37)44(33)46-42/h1-26H
• InChIKey: OUKHVZNVMVGVHZ-UHFFFAOYSA-N
• XLogP: 11.14
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.72
LogP ≤ 5	11.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene (CID 130326495) is 12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene.

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

The canonical SMILES for 12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(n4)-c4cccc6nccc-5c46)ccc32)cc1.

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

The InChIKey is OUKHVZNVMVGVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c1-2-9-29(10-3-1)47-38-15-6-4-11-30(38)35-25-27(17-20-40(35)47)28-18-21-41-36(26-28)31-12-5-7-16-39(31)48(41)42-22-19-33-32-23-24-45-37-14-8-13-34(43(32)37)44(33)46-42/h1-26H.

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

12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene has a molecular weight of 610.72 g/mol, XLogP of 11.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene is sourced from PubChem (CID 130326495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).