2-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole

C45H32NO4P — CID 101238575

About 2-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole

2-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 101238575) has the molecular formula C45H32NO4P and a molecular weight of 681.73 g/mol. Its IUPAC name is 2-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
• PubChem CID: 101238575
• Molecular Formula: C45H32NO4P
• Molecular Weight: 681.73 g/mol
• Exact Mass: 681.21
• IUPAC Name: 2-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
• SMILES: CC1(C)COC(c2ccc3ccccc3c2-c2c(Op3oc4ccc5ccccc5c4c4c(ccc5ccccc54)o3)ccc3ccccc23)=N1
• InChI: InChI=1S/C45H32NO4P/c1-45(2)27-47-44(46-45)36-23-19-28-11-3-7-15-32(28)40(36)41-33-16-8-4-12-29(33)20-24-37(41)48-51-49-38-25-21-30-13-5-9-17-34(30)42(38)43-35-18-10-6-14-31(35)22-26-39(43)50-51/h3-26H,27H2,1-2H3
• InChIKey: HWUZUSKNMAIXEV-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 57.10 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	681.73
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?

The IUPAC name of 2-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 101238575) is 2-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole.

What is the SMILES notation for 2-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?

The canonical SMILES for 2-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccc3ccccc3c2-c2c(Op3oc4ccc5ccccc5c4c4c(ccc5ccccc54)o3)ccc3ccccc23)=N1.

What is the InChIKey of 2-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?

The InChIKey is HWUZUSKNMAIXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32NO4P/c1-45(2)27-47-44(46-45)36-23-19-28-11-3-7-15-32(28)40(36)41-33-16-8-4-12-29(33)20-24-37(41)48-51-49-38-25-21-30-13-5-9-17-34(30)42(38)43-35-18-10-6-14-31(35)22-26-39(43)50-51/h3-26H,27H2,1-2H3.

What are the key properties of 2-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole?

2-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 681.73 g/mol, XLogP of 12.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 101238575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).