4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]-N,N-bis[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]aniline

C90H60N4 — CID 22960197

About 4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]-N,N-bis[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]aniline

4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]-N,N-bis[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]aniline (PubChem CID 22960197) has the molecular formula C90H60N4 and a molecular weight of 1197.50 g/mol. Its IUPAC name is 4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]-N,N-bis[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]-N,N-bis[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]aniline
• PubChem CID: 22960197
• Molecular Formula: C90H60N4
• Molecular Weight: 1197.50 g/mol
• Exact Mass: 1196.48
• IUPAC Name: 4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]-N,N-bis[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]aniline
• SMILES: c1ccc2c(c1)-c1ccccc1N(c1ccc(-c3ccc(N(c4ccc(-c5ccc(N6c7ccccc7-c7ccccc7-c7ccccc76)cc5)cc4)c4ccc(-c5ccc(N6c7ccccc7-c7ccccc7-c7ccccc76)cc5)cc4)cc3)cc1)c1ccccc1-2
• InChI: InChI=1S/C90H60N4/c1-2-20-74-73(19-1)79-25-7-13-31-85(79)92(86-32-14-8-26-80(74)86)70-55-43-64(44-56-70)61-37-49-67(50-38-61)91(68-51-39-62(40-52-68)65-45-57-71(58-46-65)93-87-33-15-9-27-81(87)75-21-3-4-22-76(75)82-28-10-16-34-88(82)93)69-53-41-63(42-54-69)66-47-59-72(60-48-66)94-89-35-17-11-29-83(89)77-23-5-6-24-78(77)84-30-12-18-36-90(84)94/h1-60H
• InChIKey: OUNAXHWKHBLSHO-UHFFFAOYSA-N
• XLogP: 25.51
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1197.50
LogP ≤ 5	25.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]-N,N-bis[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]aniline?

The IUPAC name of 4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]-N,N-bis[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]aniline (CID 22960197) is 4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]-N,N-bis[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]aniline.

What is the SMILES notation for 4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]-N,N-bis[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]aniline?

The canonical SMILES for 4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]-N,N-bis[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]aniline is c1ccc2c(c1)-c1ccccc1N(c1ccc(-c3ccc(N(c4ccc(-c5ccc(N6c7ccccc7-c7ccccc7-c7ccccc76)cc5)cc4)c4ccc(-c5ccc(N6c7ccccc7-c7ccccc7-c7ccccc76)cc5)cc4)cc3)cc1)c1ccccc1-2.

What is the InChIKey of 4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]-N,N-bis[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]aniline?

The InChIKey is OUNAXHWKHBLSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H60N4/c1-2-20-74-73(19-1)79-25-7-13-31-85(79)92(86-32-14-8-26-80(74)86)70-55-43-64(44-56-70)61-37-49-67(50-38-61)91(68-51-39-62(40-52-68)65-45-57-71(58-46-65)93-87-33-15-9-27-81(87)75-21-3-4-22-76(75)82-28-10-16-34-88(82)93)69-53-41-63(42-54-69)66-47-59-72(60-48-66)94-89-35-17-11-29-83(89)77-23-5-6-24-78(77)84-30-12-18-36-90(84)94/h1-60H.

What are the key properties of 4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]-N,N-bis[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]aniline?

4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]-N,N-bis[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]aniline has a molecular weight of 1197.50 g/mol, XLogP of 25.51, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]-N,N-bis[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 22960197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).