24-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene

C60H37N — CID 139574673

About 24-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene

24-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene (PubChem CID 139574673) has the molecular formula C60H37N and a molecular weight of 771.96 g/mol. Its IUPAC name is 24-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene.

Molecular Properties

• Compound Name: 24-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene
• PubChem CID: 139574673
• Molecular Formula: C60H37N
• Molecular Weight: 771.96 g/mol
• Exact Mass: 771.29
• IUPAC Name: 24-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene
• SMILES: c1cc(-c2ccc3c(c2)c2cccc4c5ccccc5c5ccccc5c5ccccc5n3c42)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
• InChI: InChI=1S/C60H37N/c1-2-16-39-35-43(32-31-38(39)15-1)59-51-26-9-7-24-49(51)58(50-25-8-10-27-52(50)59)42-18-13-17-40(36-42)41-33-34-57-55(37-41)54-29-14-28-53-47-22-6-4-20-45(47)44-19-3-5-21-46(44)48-23-11-12-30-56(48)61(57)60(53)54/h1-37H
• InChIKey: ICWUTPMCOPNCBE-UHFFFAOYSA-N
• XLogP: 16.73
• TPSA: 4.41 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	771.96
LogP ≤ 5	16.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 24-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene?

The IUPAC name of 24-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene (CID 139574673) is 24-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene.

What is the SMILES notation for 24-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene?

The canonical SMILES for 24-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene is c1cc(-c2ccc3c(c2)c2cccc4c5ccccc5c5ccccc5c5ccccc5n3c42)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.

What is the InChIKey of 24-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene?

The InChIKey is ICWUTPMCOPNCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N/c1-2-16-39-35-43(32-31-38(39)15-1)59-51-26-9-7-24-49(51)58(50-25-8-10-27-52(50)59)42-18-13-17-40(36-42)41-33-34-57-55(37-41)54-29-14-28-53-47-22-6-4-20-45(47)44-19-3-5-21-46(44)48-23-11-12-30-56(48)61(57)60(53)54/h1-37H.

What are the key properties of 24-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene?

24-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene has a molecular weight of 771.96 g/mol, XLogP of 16.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene is sourced from PubChem (CID 139574673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).