23-[3-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene

C43H26N4 — CID 164776874

About 23-[3-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene

23-[3-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene (PubChem CID 164776874) has the molecular formula C43H26N4 and a molecular weight of 598.71 g/mol. Its IUPAC name is 23-[3-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene.

Molecular Properties

• Compound Name: 23-[3-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
• PubChem CID: 164776874
• Molecular Formula: C43H26N4
• Molecular Weight: 598.71 g/mol
• Exact Mass: 598.22
• IUPAC Name: 23-[3-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3cccnc3-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)n2)cc1
• InChI: InChI=1S/C43H26N4/c1-3-12-27(13-4-1)35-26-36(28-14-5-2-6-15-28)46-42(45-35)34-21-11-25-44-43(34)47-37-22-10-20-33-31-18-8-7-17-30(31)32-19-9-16-29-23-24-38(47)41(39(29)32)40(33)37/h1-26H
• InChIKey: GOLWJXRFBQUUCB-UHFFFAOYSA-N
• XLogP: 10.77
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.71
LogP ≤ 5	10.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 23-[3-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?

The IUPAC name of 23-[3-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene (CID 164776874) is 23-[3-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene.

What is the SMILES notation for 23-[3-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?

The canonical SMILES for 23-[3-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccnc3-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)n2)cc1.

What is the InChIKey of 23-[3-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?

The InChIKey is GOLWJXRFBQUUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4/c1-3-12-27(13-4-1)35-26-36(28-14-5-2-6-15-28)46-42(45-35)34-21-11-25-44-43(34)47-37-22-10-20-33-31-18-8-7-17-30(31)32-19-9-16-29-23-24-38(47)41(39(29)32)40(33)37/h1-26H.

What are the key properties of 23-[3-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?

23-[3-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene has a molecular weight of 598.71 g/mol, XLogP of 10.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 23-[3-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene is sourced from PubChem (CID 164776874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).