9-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene

C48H28N2O — CID 129207881

About 9-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene

9-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene (PubChem CID 129207881) has the molecular formula C48H28N2O and a molecular weight of 648.77 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene.

Molecular Properties

• Compound Name: 9-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene
• PubChem CID: 129207881
• Molecular Formula: C48H28N2O
• Molecular Weight: 648.77 g/mol
• Exact Mass: 648.22
• IUPAC Name: 9-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4c(n5-c5ccc6oc7ccccc7c6c5)-c5cccc6cccc-4c56)cc32)cc1
• InChI: InChI=1S/C48H28N2O/c1-2-12-32(13-3-1)49-41-18-6-4-14-34(41)35-23-20-31(27-43(35)49)30-21-24-42-40(26-30)47-37-16-8-10-29-11-9-17-38(46(29)37)48(47)50(42)33-22-25-45-39(28-33)36-15-5-7-19-44(36)51-45/h1-28H
• InChIKey: QKPGRHQGMDZNDF-UHFFFAOYSA-N
• XLogP: 13.09
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.77
LogP ≤ 5	13.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene?

The IUPAC name of 9-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene (CID 129207881) is 9-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene.

What is the SMILES notation for 9-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene?

The canonical SMILES for 9-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4c(n5-c5ccc6oc7ccccc7c6c5)-c5cccc6cccc-4c56)cc32)cc1.

What is the InChIKey of 9-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene?

The InChIKey is QKPGRHQGMDZNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O/c1-2-12-32(13-3-1)49-41-18-6-4-14-34(41)35-23-20-31(27-43(35)49)30-21-24-42-40(26-30)47-37-16-8-10-29-11-9-17-38(46(29)37)48(47)50(42)33-22-25-45-39(28-33)36-15-5-7-19-44(36)51-45/h1-28H.

What are the key properties of 9-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene?

9-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene has a molecular weight of 648.77 g/mol, XLogP of 13.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene is sourced from PubChem (CID 129207881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).