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

C52H33O3P — CID 91591422

IUPAC13-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
SMILESOp1oc2c(-c3ccc(-c4ccc5ccccc5c4)cc3)cc3ccccc3c2c2c(o1)c(-c1ccc(-c3ccc4ccccc4c3)cc1)cc1ccccc12
InChIInChI=1S/C52H33O3P/c53-56-54-51-47(37-23-17-35(18-24-37)41-27-21-33-9-1-3-11-39(33)29-41)31-43-13-5-7-15-45(43)49(51)50-46-16-8-6-14-44(46)32-48(52(50)55-56)38-25-19-36(20-26-38)42-28-22-34-10-2-4-12-40(34)30-42/h1-32,53H
InChIKeyNFTOFNSAEIEBGE-UHFFFAOYSA-N
MW736.81 g/mol
LogP15.33
Rot. Bonds4

About 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

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 (PubChem CID 91591422) has the molecular formula C52H33O3P and a molecular weight of 736.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name13-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
PubChem CID91591422
Molecular FormulaC52H33O3P
Molecular Weight736.81 g/mol
Exact Mass736.22
IUPAC Name13-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
SMILESOp1oc2c(-c3ccc(-c4ccc5ccccc5c4)cc3)cc3ccccc3c2c2c(o1)c(-c1ccc(-c3ccc4ccccc4c3)cc1)cc1ccccc12
InChIInChI=1S/C52H33O3P/c53-56-54-51-47(37-23-17-35(18-24-37)41-27-21-33-9-1-3-11-39(33)29-41)31-43-13-5-7-15-45(43)49(51)50-46-16-8-6-14-44(46)32-48(52(50)55-56)38-25-19-36(20-26-38)42-28-22-34-10-2-4-12-40(34)30-42/h1-32,53H
InChIKeyNFTOFNSAEIEBGE-UHFFFAOYSA-N
XLogP15.33
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.81
LogP ≤ 515.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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-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
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
8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene
CID 123277337
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-3-phenylaniline
CID 170030961
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
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
3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene
CID 59805099
2-naphthalen-2-ylphenanthrene
CID 90738367
9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene
CID 159812962
2-[6-(6-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;2-[4-(6-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-ylnaphthalen-2-yl)phenyl]pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 159547349
4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenanthren-9-ylphenyl)phenyl]aniline
CID 163468369

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Op1oc2c(-c3ccc(-c4ccc5ccccc5c4)cc3)cc3ccccc3c2c2c(o1)c(-c1ccc(-c3ccc4ccccc4c3)cc1)cc1ccccc12.
What is the InChIKey of 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?
The InChIKey is NFTOFNSAEIEBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33O3P/c53-56-54-51-47(37-23-17-35(18-24-37)41-27-21-33-9-1-3-11-39(33)29-41)31-43-13-5-7-15-45(43)49(51)50-46-16-8-6-14-44(46)32-48(52(50)55-56)38-25-19-36(20-26-38)42-28-22-34-10-2-4-12-40(34)30-42/h1-32,53H.
What are the key properties of 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?
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 has a molecular weight of 736.81 g/mol, XLogP of 15.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91591422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).