4-[3-[9-(8-phenyl-9H-fluoren-1-yl)carbazol-3-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C55H34N2 — CID 122537484

About 4-[3-[9-(8-phenyl-9H-fluoren-1-yl)carbazol-3-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

4-[3-[9-(8-phenyl-9H-fluoren-1-yl)carbazol-3-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 122537484) has the molecular formula C55H34N2 and a molecular weight of 722.89 g/mol. Its IUPAC name is 4-[3-[9-(8-phenyl-9H-fluoren-1-yl)carbazol-3-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

• Compound Name: 4-[3-[9-(8-phenyl-9H-fluoren-1-yl)carbazol-3-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
• PubChem CID: 122537484
• Molecular Formula: C55H34N2
• Molecular Weight: 722.89 g/mol
• Exact Mass: 722.27
• IUPAC Name: 4-[3-[9-(8-phenyl-9H-fluoren-1-yl)carbazol-3-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
• SMILES: c1ccc(-c2cccc3c2Cc2c-3cccc2-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)c4)ccc32)cc1
• InChI: InChI=1S/C55H34N2/c1-2-12-34(13-3-1)39-18-9-19-40-41-20-11-25-52(49(41)33-47(39)40)56-50-23-6-5-17-43(50)48-31-37(27-29-53(48)56)35-14-8-15-36(30-35)38-26-28-44-46-22-10-21-45-42-16-4-7-24-51(42)57(55(45)46)54(44)32-38/h1-32H,33H2
• InChIKey: YBKIRLTTXJFJRE-UHFFFAOYSA-N
• XLogP: 14.51
• TPSA: 9.34 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.89
LogP ≤ 5	14.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-[3-[9-(8-phenyl-9H-fluoren-1-yl)carbazol-3-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

The IUPAC name of 4-[3-[9-(8-phenyl-9H-fluoren-1-yl)carbazol-3-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 122537484) is 4-[3-[9-(8-phenyl-9H-fluoren-1-yl)carbazol-3-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

What is the SMILES notation for 4-[3-[9-(8-phenyl-9H-fluoren-1-yl)carbazol-3-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

The canonical SMILES for 4-[3-[9-(8-phenyl-9H-fluoren-1-yl)carbazol-3-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is c1ccc(-c2cccc3c2Cc2c-3cccc2-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)c4)ccc32)cc1.

What is the InChIKey of 4-[3-[9-(8-phenyl-9H-fluoren-1-yl)carbazol-3-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

The InChIKey is YBKIRLTTXJFJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2/c1-2-12-34(13-3-1)39-18-9-19-40-41-20-11-25-52(49(41)33-47(39)40)56-50-23-6-5-17-43(50)48-31-37(27-29-53(48)56)35-14-8-15-36(30-35)38-26-28-44-46-22-10-21-45-42-16-4-7-24-51(42)57(55(45)46)54(44)32-38/h1-32H,33H2.

What are the key properties of 4-[3-[9-(8-phenyl-9H-fluoren-1-yl)carbazol-3-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

4-[3-[9-(8-phenyl-9H-fluoren-1-yl)carbazol-3-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 722.89 g/mol, XLogP of 14.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[9-(8-phenyl-9H-fluoren-1-yl)carbazol-3-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 122537484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).