21-[3-(2,7-diphenylcarbazol-9-yl)phenyl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15,17,19,22-undecaene

C52H32N2O — CID 167138237

About 21-[3-(2,7-diphenylcarbazol-9-yl)phenyl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15,17,19,22-undecaene

21-[3-(2,7-diphenylcarbazol-9-yl)phenyl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15,17,19,22-undecaene (PubChem CID 167138237) has the molecular formula C52H32N2O and a molecular weight of 700.84 g/mol. Its IUPAC name is 21-[3-(2,7-diphenylcarbazol-9-yl)phenyl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15,17,19,22-undecaene.

Molecular Properties

• Compound Name: 21-[3-(2,7-diphenylcarbazol-9-yl)phenyl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15,17,19,22-undecaene
• PubChem CID: 167138237
• Molecular Formula: C52H32N2O
• Molecular Weight: 700.84 g/mol
• Exact Mass: 700.25
• IUPAC Name: 21-[3-(2,7-diphenylcarbazol-9-yl)phenyl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15,17,19,22-undecaene
• SMILES: c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4cccc(-n5c6ccccc6c6c7cccc8c7c(cc65)Oc5ccccc5-8)c4)c3c2)cc1
• InChI: InChI=1S/C52H32N2O/c1-3-13-33(14-4-1)35-25-27-39-40-28-26-36(34-15-5-2-6-16-34)30-47(40)54(46(39)29-35)38-18-11-17-37(31-38)53-45-23-9-7-20-43(45)51-44-22-12-21-42-41-19-8-10-24-49(41)55-50(52(42)44)32-48(51)53/h1-32H
• InChIKey: VDWZFQUJBPWBSQ-UHFFFAOYSA-N
• XLogP: 14.14
• TPSA: 19.09 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.84
LogP ≤ 5	14.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 21-[3-(2,7-diphenylcarbazol-9-yl)phenyl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15,17,19,22-undecaene?

The IUPAC name of 21-[3-(2,7-diphenylcarbazol-9-yl)phenyl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15,17,19,22-undecaene (CID 167138237) is 21-[3-(2,7-diphenylcarbazol-9-yl)phenyl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15,17,19,22-undecaene.

What is the SMILES notation for 21-[3-(2,7-diphenylcarbazol-9-yl)phenyl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15,17,19,22-undecaene?

The canonical SMILES for 21-[3-(2,7-diphenylcarbazol-9-yl)phenyl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15,17,19,22-undecaene is c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4cccc(-n5c6ccccc6c6c7cccc8c7c(cc65)Oc5ccccc5-8)c4)c3c2)cc1.

What is the InChIKey of 21-[3-(2,7-diphenylcarbazol-9-yl)phenyl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15,17,19,22-undecaene?

The InChIKey is VDWZFQUJBPWBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O/c1-3-13-33(14-4-1)35-25-27-39-40-28-26-36(34-15-5-2-6-16-34)30-47(40)54(46(39)29-35)38-18-11-17-37(31-38)53-45-23-9-7-20-43(45)51-44-22-12-21-42-41-19-8-10-24-49(41)55-50(52(42)44)32-48(51)53/h1-32H.

What are the key properties of 21-[3-(2,7-diphenylcarbazol-9-yl)phenyl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15,17,19,22-undecaene?

21-[3-(2,7-diphenylcarbazol-9-yl)phenyl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15,17,19,22-undecaene has a molecular weight of 700.84 g/mol, XLogP of 14.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 21-[3-(2,7-diphenylcarbazol-9-yl)phenyl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15,17,19,22-undecaene is sourced from PubChem (CID 167138237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).