6-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine

C80H62N2O2 — CID 146579315

About 6-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine

6-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine (PubChem CID 146579315) has the molecular formula C80H62N2O2 and a molecular weight of 1083.39 g/mol. Its IUPAC name is 6-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine.

Molecular Properties

• Compound Name: 6-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
• PubChem CID: 146579315
• Molecular Formula: C80H62N2O2
• Molecular Weight: 1083.39 g/mol
• Exact Mass: 1082.48
• IUPAC Name: 6-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
• SMILES: c1ccc(-c2cc3ccccc3c3c2oc2c(N(c4cccc5c4CCCC5)c4ccc5ccc6c(N(c7cccc8c7CCCC8)c7cccc8c7oc7c(C9CCCCC9)cc9ccccc9c78)ccc7ccc4c5c76)cccc23)cc1
• InChI: InChI=1S/C80H62N2O2/c1-3-19-51(20-4-1)65-47-55-25-9-13-31-59(55)75-63-33-17-37-71(77(63)83-79(65)75)81(67-35-15-27-49-23-7-11-29-57(49)67)69-45-41-53-40-44-62-70(46-42-54-39-43-61(69)73(53)74(54)62)82(68-36-16-28-50-24-8-12-30-58(50)68)72-38-18-34-64-76-60-32-14-10-26-56(60)48-66(80(76)84-78(64)72)52-21-5-2-6-22-52/h1,3-4,9-10,13-20,25-28,31-48,52H,2,5-8,11-12,21-24,29-30H2
• InChIKey: UCECGUVBLQAWFK-UHFFFAOYSA-N
• XLogP: 23.10
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1083.39
LogP ≤ 5	23.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine?

The IUPAC name of 6-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine (CID 146579315) is 6-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine.

What is the SMILES notation for 6-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine?

The canonical SMILES for 6-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine is c1ccc(-c2cc3ccccc3c3c2oc2c(N(c4cccc5c4CCCC5)c4ccc5ccc6c(N(c7cccc8c7CCCC8)c7cccc8c7oc7c(C9CCCCC9)cc9ccccc9c78)ccc7ccc4c5c76)cccc23)cc1.

What is the InChIKey of 6-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine?

The InChIKey is UCECGUVBLQAWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H62N2O2/c1-3-19-51(20-4-1)65-47-55-25-9-13-31-59(55)75-63-33-17-37-71(77(63)83-79(65)75)81(67-35-15-27-49-23-7-11-29-57(49)67)69-45-41-53-40-44-62-70(46-42-54-39-43-61(69)73(53)74(54)62)82(68-36-16-28-50-24-8-12-30-58(50)68)72-38-18-34-64-76-60-32-14-10-26-56(60)48-66(80(76)84-78(64)72)52-21-5-2-6-22-52/h1,3-4,9-10,13-20,25-28,31-48,52H,2,5-8,11-12,21-24,29-30H2.

What are the key properties of 6-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine?

6-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine has a molecular weight of 1083.39 g/mol, XLogP of 23.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine is sourced from PubChem (CID 146579315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).