4-[3-[13-hydroxy-16-[3-(4-oxocyclohexa-1,5-dien-1-yl)-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]cyclohexa-2,4-dien-1-one

C56H37O5P — CID 162343231

IUPAC4-[3-[13-hydroxy-16-[3-(4-oxocyclohexa-1,5-dien-1-yl)-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]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC(c2cc(-c3ccccc3)cc(-c3cc4ccccc4c4c3op(O)oc3c(-c5cc(C6=CCC(=O)C=C6)cc(-c6ccccc6)c5)cc5ccccc5c34)c2)=CC1
InChIInChI=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/h1-23,25,27-34,59H,24,26H2
InChIKeyNKNPDXLXHQIYRP-UHFFFAOYSA-N
MW820.88 g/mol
LogP14.84
Rot. Bonds6

About 4-[3-[13-hydroxy-16-[3-(4-oxocyclohexa-1,5-dien-1-yl)-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]cyclohexa-2,4-dien-1-one

4-[3-[13-hydroxy-16-[3-(4-oxocyclohexa-1,5-dien-1-yl)-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]cyclohexa-2,4-dien-1-one (PubChem CID 162343231) 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-oxocyclohexa-1,5-dien-1-yl)-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]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name4-[3-[13-hydroxy-16-[3-(4-oxocyclohexa-1,5-dien-1-yl)-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]cyclohexa-2,4-dien-1-one
PubChem CID162343231
Molecular FormulaC56H37O5P
Molecular Weight820.88 g/mol
Exact Mass820.24
IUPAC Name4-[3-[13-hydroxy-16-[3-(4-oxocyclohexa-1,5-dien-1-yl)-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]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC(c2cc(-c3ccccc3)cc(-c3cc4ccccc4c4c3op(O)oc3c(-c5cc(C6=CCC(=O)C=C6)cc(-c6ccccc6)c5)cc5ccccc5c34)c2)=CC1
InChIInChI=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/h1-23,25,27-34,59H,24,26H2
InChIKeyNKNPDXLXHQIYRP-UHFFFAOYSA-N
XLogP14.84
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.88
LogP ≤ 514.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-[13-hydroxy-16-[3-(4-oxocyclohexa-1,5-dien-1-yl)-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]cyclohexa-2,4-dien-1-one with MolForge

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Related Compounds

4-[3-[13-hydroxy-16-[3-(4-oxocyclohexa-1,5-dien-1-yl)-5-phenylphenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-10-yl]-5-phenylphenyl]cyclohexa-2,4-dien-1-one
CID 172878410
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
13-hydroxy-10,16-bis(4-naphthalen-2-ylphenyl)-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-decaene
CID 91591422
13-methyl-10,16-diphenyl-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-decaene
CID 59245357
10-[3,5-bis(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 121325371
N,N-dibenzyl-10,16-diphenyl-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-amine
CID 44515234
5,7-diphenylbenzo[c]phenanthrene
CID 123858461
9-(3-methyl-5-phenylphenyl)phenanthrene
CID 156682596
2,7-bis(3-phenylphenyl)benzo[c]phenanthrene
CID 140710635
23-[3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 130188813
6-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176844541
6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 86667299

Frequently Asked Questions

What is the IUPAC name of 4-[3-[13-hydroxy-16-[3-(4-oxocyclohexa-1,5-dien-1-yl)-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]cyclohexa-2,4-dien-1-one?
The IUPAC name of 4-[3-[13-hydroxy-16-[3-(4-oxocyclohexa-1,5-dien-1-yl)-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]cyclohexa-2,4-dien-1-one (CID 162343231) is 4-[3-[13-hydroxy-16-[3-(4-oxocyclohexa-1,5-dien-1-yl)-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]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 4-[3-[13-hydroxy-16-[3-(4-oxocyclohexa-1,5-dien-1-yl)-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]cyclohexa-2,4-dien-1-one?
The canonical SMILES for 4-[3-[13-hydroxy-16-[3-(4-oxocyclohexa-1,5-dien-1-yl)-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]cyclohexa-2,4-dien-1-one is O=C1C=CC(c2cc(-c3ccccc3)cc(-c3cc4ccccc4c4c3op(O)oc3c(-c5cc(C6=CCC(=O)C=C6)cc(-c6ccccc6)c5)cc5ccccc5c34)c2)=CC1.
What is the InChIKey of 4-[3-[13-hydroxy-16-[3-(4-oxocyclohexa-1,5-dien-1-yl)-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]cyclohexa-2,4-dien-1-one?
The InChIKey is NKNPDXLXHQIYRP-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/h1-23,25,27-34,59H,24,26H2.
What are the key properties of 4-[3-[13-hydroxy-16-[3-(4-oxocyclohexa-1,5-dien-1-yl)-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]cyclohexa-2,4-dien-1-one?
4-[3-[13-hydroxy-16-[3-(4-oxocyclohexa-1,5-dien-1-yl)-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]cyclohexa-2,4-dien-1-one has a molecular weight of 820.88 g/mol, XLogP of 14.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[13-hydroxy-16-[3-(4-oxocyclohexa-1,5-dien-1-yl)-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]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 162343231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).