9-(2,4-diphenylphenyl)-24-naphthalen-2-yl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene

C50H32N2 — CID 174364453

About 9-(2,4-diphenylphenyl)-24-naphthalen-2-yl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene

9-(2,4-diphenylphenyl)-24-naphthalen-2-yl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (PubChem CID 174364453) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 9-(2,4-diphenylphenyl)-24-naphthalen-2-yl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 9-(2,4-diphenylphenyl)-24-naphthalen-2-yl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
• PubChem CID: 174364453
• Molecular Formula: C50H32N2
• Molecular Weight: 660.82 g/mol
• Exact Mass: 660.26
• IUPAC Name: 9-(2,4-diphenylphenyl)-24-naphthalen-2-yl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4c3c3ccccc3c3c5ccccc5n(-c5ccc6ccccc6c5)c34)c(-c3ccccc3)c2)cc1
• InChI: InChI=1S/C50H32N2/c1-3-15-33(16-4-1)37-28-30-46(43(32-37)35-18-5-2-6-19-35)52-45-26-14-12-24-42(45)48-49(52)40-22-10-9-21-39(40)47-41-23-11-13-25-44(41)51(50(47)48)38-29-27-34-17-7-8-20-36(34)31-38/h1-32H
• InChIKey: CTTDCMWAJYISRD-UHFFFAOYSA-N
• XLogP: 13.52
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.82
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-(2,4-diphenylphenyl)-24-naphthalen-2-yl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

The IUPAC name of 9-(2,4-diphenylphenyl)-24-naphthalen-2-yl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (CID 174364453) is 9-(2,4-diphenylphenyl)-24-naphthalen-2-yl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 9-(2,4-diphenylphenyl)-24-naphthalen-2-yl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

The canonical SMILES for 9-(2,4-diphenylphenyl)-24-naphthalen-2-yl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is c1ccc(-c2ccc(-n3c4ccccc4c4c3c3ccccc3c3c5ccccc5n(-c5ccc6ccccc6c5)c34)c(-c3ccccc3)c2)cc1.

What is the InChIKey of 9-(2,4-diphenylphenyl)-24-naphthalen-2-yl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

The InChIKey is CTTDCMWAJYISRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-3-15-33(16-4-1)37-28-30-46(43(32-37)35-18-5-2-6-19-35)52-45-26-14-12-24-42(45)48-49(52)40-22-10-9-21-39(40)47-41-23-11-13-25-44(41)51(50(47)48)38-29-27-34-17-7-8-20-36(34)31-38/h1-32H.

What are the key properties of 9-(2,4-diphenylphenyl)-24-naphthalen-2-yl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

9-(2,4-diphenylphenyl)-24-naphthalen-2-yl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene has a molecular weight of 660.82 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2,4-diphenylphenyl)-24-naphthalen-2-yl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 174364453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).