14,18-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene

C42H27N5 — CID 90267193

About 14,18-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene

14,18-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene (PubChem CID 90267193) has the molecular formula C42H27N5 and a molecular weight of 601.71 g/mol. Its IUPAC name is 14,18-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene.

Molecular Properties

• Compound Name: 14,18-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene
• PubChem CID: 90267193
• Molecular Formula: C42H27N5
• Molecular Weight: 601.71 g/mol
• Exact Mass: 601.23
• IUPAC Name: 14,18-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene
• SMILES: c1ccc(-n2ccc3cc4c5c(ccc6c7ccccc7n(-c7cccc(-c8cccnc8)n7)c65)n(-c5ccccc5)c4cc32)cc1
• InChI: InChI=1S/C42H27N5/c1-3-12-30(13-4-1)45-24-22-28-25-34-39(26-38(28)45)46(31-14-5-2-6-15-31)37-21-20-33-32-16-7-8-18-36(32)47(42(33)41(34)37)40-19-9-17-35(44-40)29-11-10-23-43-27-29/h1-27H
• InChIKey: UYBDKBQYQFUMMX-UHFFFAOYSA-N
• XLogP: 10.28
• TPSA: 40.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.71
LogP ≤ 5	10.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 14,18-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene?

The IUPAC name of 14,18-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene (CID 90267193) is 14,18-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene.

What is the SMILES notation for 14,18-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene?

The canonical SMILES for 14,18-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene is c1ccc(-n2ccc3cc4c5c(ccc6c7ccccc7n(-c7cccc(-c8cccnc8)n7)c65)n(-c5ccccc5)c4cc32)cc1.

What is the InChIKey of 14,18-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene?

The InChIKey is UYBDKBQYQFUMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N5/c1-3-12-30(13-4-1)45-24-22-28-25-34-39(26-38(28)45)46(31-14-5-2-6-15-31)37-21-20-33-32-16-7-8-18-36(32)47(42(33)41(34)37)40-19-9-17-35(44-40)29-11-10-23-43-27-29/h1-27H.

What are the key properties of 14,18-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene?

14,18-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene has a molecular weight of 601.71 g/mol, XLogP of 10.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 14,18-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene is sourced from PubChem (CID 90267193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).