4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline

C49H33F3N2 — CID 129062156

About 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline

4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 129062156) has the molecular formula C49H33F3N2 and a molecular weight of 706.81 g/mol. Its IUPAC name is 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline
• PubChem CID: 129062156
• Molecular Formula: C49H33F3N2
• Molecular Weight: 706.81 g/mol
• Exact Mass: 706.26
• IUPAC Name: 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline
• SMILES: FC(F)(F)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3N4c3ccccc3)cc2)cc1
• InChI: InChI=1S/C49H33F3N2/c50-49(51,52)38-24-30-42(31-25-38)53(40-26-19-35(20-27-40)34-11-3-1-4-12-34)41-28-21-36(22-29-41)37-23-32-48-46(33-37)44-16-8-7-15-43(44)45-17-9-10-18-47(45)54(48)39-13-5-2-6-14-39/h1-33H
• InChIKey: SQMXFTBLPKIGFL-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	706.81
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline?

The IUPAC name of 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline (CID 129062156) is 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline.

What is the SMILES notation for 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline?

The canonical SMILES for 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline is FC(F)(F)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3N4c3ccccc3)cc2)cc1.

What is the InChIKey of 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline?

The InChIKey is SQMXFTBLPKIGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33F3N2/c50-49(51,52)38-24-30-42(31-25-38)53(40-26-19-35(20-27-40)34-11-3-1-4-12-34)41-28-21-36(22-29-41)37-23-32-48-46(33-37)44-16-8-7-15-43(44)45-17-9-10-18-47(45)54(48)39-13-5-2-6-14-39/h1-33H.

What are the key properties of 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline?

4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 706.81 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-N-[4-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 129062156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).