18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene

C38H23N5 — CID 163647461

About 18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene

18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene (PubChem CID 163647461) has the molecular formula C38H23N5 and a molecular weight of 549.64 g/mol. Its IUPAC name is 18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene.

Molecular Properties

• Compound Name: 18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene
• PubChem CID: 163647461
• Molecular Formula: C38H23N5
• Molecular Weight: 549.64 g/mol
• Exact Mass: 549.20
• IUPAC Name: 18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc4c(cc32)c2c3c5cnccc5c5nccn5c3ccc2n4-c2ccccc2)cc1
• InChI: InChI=1S/C38H23N5/c1-3-9-24(10-4-1)42-31-14-8-7-13-26(31)28-21-35-29(22-34(28)42)36-33(43(35)25-11-5-2-6-12-25)16-15-32-37(36)30-23-39-18-17-27(30)38-40-19-20-41(32)38/h1-23H
• InChIKey: UTMCJZCBCJSBTI-UHFFFAOYSA-N
• XLogP: 9.23
• TPSA: 40.05 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.64
LogP ≤ 5	9.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene?

The IUPAC name of 18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene (CID 163647461) is 18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene.

What is the SMILES notation for 18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene?

The canonical SMILES for 18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2c3c5cnccc5c5nccn5c3ccc2n4-c2ccccc2)cc1.

What is the InChIKey of 18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene?

The InChIKey is UTMCJZCBCJSBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N5/c1-3-9-24(10-4-1)42-31-14-8-7-13-26(31)28-21-35-29(22-34(28)42)36-33(43(35)25-11-5-2-6-12-25)16-15-32-37(36)30-23-39-18-17-27(30)38-40-19-20-41(32)38/h1-23H.

What are the key properties of 18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene?

18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene has a molecular weight of 549.64 g/mol, XLogP of 9.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene is sourced from PubChem (CID 163647461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).