2-(3,5-diphenylphenyl)-4-naphthalen-1-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)pyridine

C51H31NOS — CID 167132645

About 2-(3,5-diphenylphenyl)-4-naphthalen-1-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)pyridine

2-(3,5-diphenylphenyl)-4-naphthalen-1-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)pyridine (PubChem CID 167132645) has the molecular formula C51H31NOS and a molecular weight of 705.88 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-4-naphthalen-1-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)pyridine.

Molecular Properties

• Compound Name: 2-(3,5-diphenylphenyl)-4-naphthalen-1-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)pyridine
• PubChem CID: 167132645
• Molecular Formula: C51H31NOS
• Molecular Weight: 705.88 g/mol
• Exact Mass: 705.21
• IUPAC Name: 2-(3,5-diphenylphenyl)-4-naphthalen-1-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)pyridine
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cccc5ccccc45)cc(-c4cc5c6ccccc6oc5c5c4sc4ccccc45)n3)c2)cc1
• InChI: InChI=1S/C51H31NOS/c1-3-14-32(15-4-1)35-26-36(33-16-5-2-6-17-33)28-38(27-35)45-29-37(40-23-13-19-34-18-7-8-20-39(34)40)30-46(52-45)44-31-43-41-21-9-11-24-47(41)53-50(43)49-42-22-10-12-25-48(42)54-51(44)49/h1-31H
• InChIKey: BUOKWVBCQLGMKF-UHFFFAOYSA-N
• XLogP: 14.84
• TPSA: 26.03 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.88
LogP ≤ 5	14.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-4-naphthalen-1-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)pyridine?

The IUPAC name of 2-(3,5-diphenylphenyl)-4-naphthalen-1-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)pyridine (CID 167132645) is 2-(3,5-diphenylphenyl)-4-naphthalen-1-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)pyridine.

What is the SMILES notation for 2-(3,5-diphenylphenyl)-4-naphthalen-1-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)pyridine?

The canonical SMILES for 2-(3,5-diphenylphenyl)-4-naphthalen-1-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)pyridine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cccc5ccccc45)cc(-c4cc5c6ccccc6oc5c5c4sc4ccccc45)n3)c2)cc1.

What is the InChIKey of 2-(3,5-diphenylphenyl)-4-naphthalen-1-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)pyridine?

The InChIKey is BUOKWVBCQLGMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31NOS/c1-3-14-32(15-4-1)35-26-36(33-16-5-2-6-17-33)28-38(27-35)45-29-37(40-23-13-19-34-18-7-8-20-39(34)40)30-46(52-45)44-31-43-41-21-9-11-24-47(41)53-50(43)49-42-22-10-12-25-48(42)54-51(44)49/h1-31H.

What are the key properties of 2-(3,5-diphenylphenyl)-4-naphthalen-1-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)pyridine?

2-(3,5-diphenylphenyl)-4-naphthalen-1-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)pyridine has a molecular weight of 705.88 g/mol, XLogP of 14.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-diphenylphenyl)-4-naphthalen-1-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)pyridine is sourced from PubChem (CID 167132645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).