14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-10,14,16,23-tetrazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene

C84H56N12 — CID 145321640

About 14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-10,14,16,23-tetrazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene

14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-10,14,16,23-tetrazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene (PubChem CID 145321640) has the molecular formula C84H56N12 and a molecular weight of 1233.46 g/mol. Its IUPAC name is 14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-10,14,16,23-tetrazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene.

Molecular Properties

• Compound Name: 14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-10,14,16,23-tetrazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene
• PubChem CID: 145321640
• Molecular Formula: C84H56N12
• Molecular Weight: 1233.46 g/mol
• Exact Mass: 1232.48
• IUPAC Name: 14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-10,14,16,23-tetrazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene
• SMILES: CC1(C)c2ccccc2-c2cc3c(cc21)n(-c1cccc(-c2nc(-c4ccccc4)cc(-c4ccccc4)n2)c1)c1nc2ccccc2n31.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)n(-c3ccccc3)c3nc4ccccc4n53)n2)cc1
• InChI: InChI=1S/C44H31N5.C40H25N7/c1-44(2)34-21-10-9-20-32(34)33-25-40-41(26-35(33)44)48(43-47-36-22-11-12-23-39(36)49(40)43)31-19-13-18-30(24-31)42-45-37(28-14-5-3-6-15-28)27-38(46-42)29-16-7-4-8-17-29;1-4-14-26(15-5-1)37-42-38(27-16-6-2-7-17-27)44-39(43-37)46-32-22-12-10-20-29(32)30-24-35-36(25-34(30)46)45(28-18-8-3-9-19-28)40-41-31-21-11-13-23-33(31)47(35)40/h3-27H,1-2H3;1-25H
• InChIKey: NCYZUXAGYXMLDV-UHFFFAOYSA-N
• XLogP: 19.58
• TPSA: 113.84 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1233.46
LogP ≤ 5	19.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-10,14,16,23-tetrazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene?

The IUPAC name of 14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-10,14,16,23-tetrazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene (CID 145321640) is 14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-10,14,16,23-tetrazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene.

What is the SMILES notation for 14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-10,14,16,23-tetrazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene?

The canonical SMILES for 14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-10,14,16,23-tetrazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene is CC1(C)c2ccccc2-c2cc3c(cc21)n(-c1cccc(-c2nc(-c4ccccc4)cc(-c4ccccc4)n2)c1)c1nc2ccccc2n31.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)n(-c3ccccc3)c3nc4ccccc4n53)n2)cc1.

What is the InChIKey of 14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-10,14,16,23-tetrazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene?

The InChIKey is NCYZUXAGYXMLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N5.C40H25N7/c1-44(2)34-21-10-9-20-32(34)33-25-40-41(26-35(33)44)48(43-47-36-22-11-12-23-39(36)49(40)43)31-19-13-18-30(24-31)42-45-37(28-14-5-3-6-15-28)27-38(46-42)29-16-7-4-8-17-29;1-4-14-26(15-5-1)37-42-38(27-16-6-2-7-17-27)44-39(43-37)46-32-22-12-10-20-29(32)30-24-35-36(25-34(30)46)45(28-18-8-3-9-19-28)40-41-31-21-11-13-23-33(31)47(35)40/h3-27H,1-2H3;1-25H.

What are the key properties of 14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-10,14,16,23-tetrazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene?

14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-10,14,16,23-tetrazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene has a molecular weight of 1233.46 g/mol, XLogP of 19.58, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-10,14,16,23-tetrazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene is sourced from PubChem (CID 145321640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).