4-[3-[13-hydroxy-16-[3-(4-hydroxyphenyl)-5-phenylphenyl]-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-10-yl]-5-phenylphenyl]phenol

C56H37O5P — CID 171703299

About 4-[3-[13-hydroxy-16-[3-(4-hydroxyphenyl)-5-phenylphenyl]-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-10-yl]-5-phenylphenyl]phenol

4-[3-[13-hydroxy-16-[3-(4-hydroxyphenyl)-5-phenylphenyl]-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-10-yl]-5-phenylphenyl]phenol (PubChem CID 171703299) has the molecular formula C56H37O5P and a molecular weight of 820.88 g/mol. Its IUPAC name is 4-[3-[13-hydroxy-16-[3-(4-hydroxyphenyl)-5-phenylphenyl]-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-10-yl]-5-phenylphenyl]phenol.

Molecular Properties

• Compound Name: 4-[3-[13-hydroxy-16-[3-(4-hydroxyphenyl)-5-phenylphenyl]-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-10-yl]-5-phenylphenyl]phenol
• PubChem CID: 171703299
• Molecular Formula: C56H37O5P
• Molecular Weight: 820.88 g/mol
• Exact Mass: 820.24
• IUPAC Name: 4-[3-[13-hydroxy-16-[3-(4-hydroxyphenyl)-5-phenylphenyl]-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-10-yl]-5-phenylphenyl]phenol
• SMILES: Oc1ccc(-c2cc(-c3ccccc3)cc(-c3cc4ccccc4c4c3op(O)oc3c(-c5cc(-c6ccccc6)cc(-c6ccc(O)cc6)c5)cc5ccccc5c34)c2)cc1
• InChI: InChI=1S/C56H37O5P/c57-47-23-19-37(20-24-47)43-27-41(35-11-3-1-4-12-35)29-45(31-43)51-33-39-15-7-9-17-49(39)53-54-50-18-10-8-16-40(50)34-52(56(54)61-62(59)60-55(51)53)46-30-42(36-13-5-2-6-14-36)28-44(32-46)38-21-25-48(58)26-22-38/h1-34,57-59H
• InChIKey: MAKLPYPYJYQQIQ-UHFFFAOYSA-N
• XLogP: 15.77
• TPSA: 86.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.88
LogP ≤ 5	15.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[3-[13-hydroxy-16-[3-(4-hydroxyphenyl)-5-phenylphenyl]-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-10-yl]-5-phenylphenyl]phenol?

The IUPAC name of 4-[3-[13-hydroxy-16-[3-(4-hydroxyphenyl)-5-phenylphenyl]-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-10-yl]-5-phenylphenyl]phenol (CID 171703299) is 4-[3-[13-hydroxy-16-[3-(4-hydroxyphenyl)-5-phenylphenyl]-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-10-yl]-5-phenylphenyl]phenol.

What is the SMILES notation for 4-[3-[13-hydroxy-16-[3-(4-hydroxyphenyl)-5-phenylphenyl]-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-10-yl]-5-phenylphenyl]phenol?

The canonical SMILES for 4-[3-[13-hydroxy-16-[3-(4-hydroxyphenyl)-5-phenylphenyl]-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-10-yl]-5-phenylphenyl]phenol is Oc1ccc(-c2cc(-c3ccccc3)cc(-c3cc4ccccc4c4c3op(O)oc3c(-c5cc(-c6ccccc6)cc(-c6ccc(O)cc6)c5)cc5ccccc5c34)c2)cc1.

What is the InChIKey of 4-[3-[13-hydroxy-16-[3-(4-hydroxyphenyl)-5-phenylphenyl]-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-10-yl]-5-phenylphenyl]phenol?

The InChIKey is MAKLPYPYJYQQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37O5P/c57-47-23-19-37(20-24-47)43-27-41(35-11-3-1-4-12-35)29-45(31-43)51-33-39-15-7-9-17-49(39)53-54-50-18-10-8-16-40(50)34-52(56(54)61-62(59)60-55(51)53)46-30-42(36-13-5-2-6-14-36)28-44(32-46)38-21-25-48(58)26-22-38/h1-34,57-59H.

What are the key properties of 4-[3-[13-hydroxy-16-[3-(4-hydroxyphenyl)-5-phenylphenyl]-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-10-yl]-5-phenylphenyl]phenol?

4-[3-[13-hydroxy-16-[3-(4-hydroxyphenyl)-5-phenylphenyl]-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-10-yl]-5-phenylphenyl]phenol has a molecular weight of 820.88 g/mol, XLogP of 15.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[13-hydroxy-16-[3-(4-hydroxyphenyl)-5-phenylphenyl]-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-10-yl]-5-phenylphenyl]phenol is sourced from PubChem (CID 171703299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).