16-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-22-naphthalen-1-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-naphthalen-2-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-phenyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene

C151H110N6 — CID 157490294

About 16-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-22-naphthalen-1-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-naphthalen-2-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-phenyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene

16-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-22-naphthalen-1-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-naphthalen-2-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-phenyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene (PubChem CID 157490294) has the molecular formula C151H110N6 and a molecular weight of 2008.58 g/mol. Its IUPAC name is 16-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-22-naphthalen-1-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-naphthalen-2-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-phenyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene.

Molecular Properties

• Compound Name: 16-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-22-naphthalen-1-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-naphthalen-2-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-phenyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
• PubChem CID: 157490294
• Molecular Formula: C151H110N6
• Molecular Weight: 2008.58 g/mol
• Exact Mass: 2006.88
• IUPAC Name: 16-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-22-naphthalen-1-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-naphthalen-2-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-phenyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
• SMILES: CC1(C)c2ccccc2-c2c3c1cccc3cc1c3ccccc3n(-c3ccc4ccccc4c3)c21.CC1(C)c2ccccc2-c2c3c1cccc3cc1c3ccccc3n(-c3cccc4ccccc34)c21.CC1(C)c2ccccc2-c2c3c1cccc3cc1c3ccccc3n(-c3ccccc3)c21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5c6c7c(cccc7cc54)C(C)(C)c4ccccc4-6)n3)cc21
• InChI: InChI=1S/C50H37N3.2C35H25N.C31H23N/c1-49(2)38-22-12-9-19-35(38)47-45-32(17-14-23-39(45)49)28-44-46(47)36-20-10-13-24-43(36)53(44)48-51-41(30-15-6-5-7-16-30)29-42(52-48)31-25-26-34-33-18-8-11-21-37(33)50(3,4)40(34)27-31;1-35(2)28-17-7-5-16-26(28)33-32-23(13-9-18-29(32)35)21-27-25-15-6-8-19-31(25)36(34(27)33)30-20-10-12-22-11-3-4-14-24(22)30;1-35(2)29-15-7-5-14-27(29)33-32-24(12-9-16-30(32)35)21-28-26-13-6-8-17-31(26)36(34(28)33)25-19-18-22-10-3-4-11-23(22)20-25;1-31(2)25-16-8-6-15-23(25)29-28-20(11-10-17-26(28)31)19-24-22-14-7-9-18-27(22)32(30(24)29)21-12-4-3-5-13-21/h5-29H,1-4H3;2*3-21H,1-2H3;3-19H,1-2H3
• InChIKey: BXEPFOORXMDYBS-UHFFFAOYSA-N
• XLogP: 39.71
• TPSA: 45.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2008.58
LogP ≤ 5	39.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 16-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-22-naphthalen-1-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-naphthalen-2-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-phenyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene?

The IUPAC name of 16-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-22-naphthalen-1-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-naphthalen-2-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-phenyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene (CID 157490294) is 16-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-22-naphthalen-1-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-naphthalen-2-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-phenyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene.

What is the SMILES notation for 16-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-22-naphthalen-1-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-naphthalen-2-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-phenyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene?

The canonical SMILES for 16-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-22-naphthalen-1-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-naphthalen-2-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-phenyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene is CC1(C)c2ccccc2-c2c3c1cccc3cc1c3ccccc3n(-c3ccc4ccccc4c3)c21.CC1(C)c2ccccc2-c2c3c1cccc3cc1c3ccccc3n(-c3cccc4ccccc34)c21.CC1(C)c2ccccc2-c2c3c1cccc3cc1c3ccccc3n(-c3ccccc3)c21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5c6c7c(cccc7cc54)C(C)(C)c4ccccc4-6)n3)cc21.

What is the InChIKey of 16-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-22-naphthalen-1-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-naphthalen-2-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-phenyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene?

The InChIKey is BXEPFOORXMDYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N3.2C35H25N.C31H23N/c1-49(2)38-22-12-9-19-35(38)47-45-32(17-14-23-39(45)49)28-44-46(47)36-20-10-13-24-43(36)53(44)48-51-41(30-15-6-5-7-16-30)29-42(52-48)31-25-26-34-33-18-8-11-21-37(33)50(3,4)40(34)27-31;1-35(2)28-17-7-5-16-26(28)33-32-23(13-9-18-29(32)35)21-27-25-15-6-8-19-31(25)36(34(27)33)30-20-10-12-22-11-3-4-14-24(22)30;1-35(2)29-15-7-5-14-27(29)33-32-24(12-9-16-30(32)35)21-28-26-13-6-8-17-31(26)36(34(28)33)25-19-18-22-10-3-4-11-23(22)20-25;1-31(2)25-16-8-6-15-23(25)29-28-20(11-10-17-26(28)31)19-24-22-14-7-9-18-27(22)32(30(24)29)21-12-4-3-5-13-21/h5-29H,1-4H3;2*3-21H,1-2H3;3-19H,1-2H3.

What are the key properties of 16-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-22-naphthalen-1-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-naphthalen-2-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-phenyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene?

16-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-22-naphthalen-1-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-naphthalen-2-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-phenyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene has a molecular weight of 2008.58 g/mol, XLogP of 39.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 16-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-22-naphthalen-1-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-naphthalen-2-yl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-phenyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 157490294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).