9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

C142H92N8 — CID 159019074

About 9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene (PubChem CID 159019074) has the molecular formula C142H92N8 and a molecular weight of 1910.35 g/mol. Its IUPAC name is 9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene.

Molecular Properties

• Compound Name: 9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
• PubChem CID: 159019074
• Molecular Formula: C142H92N8
• Molecular Weight: 1910.35 g/mol
• Exact Mass: 1908.74
• IUPAC Name: 9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7c(-c7ccccc7)cc6c6ccccc6c54)cc3)cc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)cc3)n2)cc1
• InChI: InChI=1S/C51H35N.C46H29N3.C45H28N4/c1-51(2)45-22-12-10-18-38(45)39-29-26-34(30-46(39)51)32-24-27-35(28-25-32)52-47-23-13-11-21-42(47)49-48-40-19-8-6-16-36(40)43(33-14-4-3-5-15-33)31-44(48)37-17-7-9-20-41(37)50(49)52;1-3-14-31(15-4-1)40-29-41(32-16-5-2-6-17-32)48-46(47-40)33-23-26-34(27-24-33)49-42-22-12-11-21-39(42)44-43-35-18-8-7-13-30(35)25-28-37(43)36-19-9-10-20-38(36)45(44)49;1-3-14-30(15-4-1)43-46-44(31-16-5-2-6-17-31)48-45(47-43)32-23-26-33(27-24-32)49-39-22-12-11-21-38(39)41-40-34-18-8-7-13-29(34)25-28-36(40)35-19-9-10-20-37(35)42(41)49/h3-31H,1-2H3;1-29H;1-28H
• InChIKey: JTLPFPNXEVIDTF-UHFFFAOYSA-N
• XLogP: 37.35
• TPSA: 79.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1910.35
LogP ≤ 5	37.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

The IUPAC name of 9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene (CID 159019074) is 9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene.

What is the SMILES notation for 9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

The canonical SMILES for 9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene is CC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7c(-c7ccccc7)cc6c6ccccc6c54)cc3)cc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)cc3)n2)cc1.

What is the InChIKey of 9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

The InChIKey is JTLPFPNXEVIDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N.C46H29N3.C45H28N4/c1-51(2)45-22-12-10-18-38(45)39-29-26-34(30-46(39)51)32-24-27-35(28-25-32)52-47-23-13-11-21-42(47)49-48-40-19-8-6-16-36(40)43(33-14-4-3-5-15-33)31-44(48)37-17-7-9-20-41(37)50(49)52;1-3-14-31(15-4-1)40-29-41(32-16-5-2-6-17-32)48-46(47-40)33-23-26-34(27-24-33)49-42-22-12-11-21-39(42)44-43-35-18-8-7-13-30(35)25-28-37(43)36-19-9-10-20-38(36)45(44)49;1-3-14-30(15-4-1)43-46-44(31-16-5-2-6-17-31)48-45(47-43)32-23-26-33(27-24-32)49-39-22-12-11-21-38(39)41-40-34-18-8-7-13-29(34)25-28-36(40)35-19-9-10-20-37(35)42(41)49/h3-31H,1-2H3;1-29H;1-28H.

What are the key properties of 9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene has a molecular weight of 1910.35 g/mol, XLogP of 37.35, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 159019074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).