10,20-diphenyl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13(29),14,16,19,21,23,25,27-tridecaene

C38H23O2P — CID 118219882

IUPAC10,20-diphenyl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13(29),14,16,19,21,23,25,27-tridecaene
SMILESc1ccc(-c2c3c(cc4ccccc24)P2c4cc5ccccc5c(-c5ccccc5)c4Oc4cccc(c42)O3)cc1
InChIInChI=1S/C38H23O2P/c1-3-12-24(13-4-1)34-28-18-9-7-16-26(28)22-32-36(34)39-30-20-11-21-31-38(30)41(32)33-23-27-17-8-10-19-29(27)35(37(33)40-31)25-14-5-2-6-15-25/h1-23H
InChIKeyVZJDCFPYCHFRMV-UHFFFAOYSA-N
MW542.57 g/mol
LogP9.30
Rot. Bonds2

About 10,20-diphenyl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13(29),14,16,19,21,23,25,27-tridecaene

10,20-diphenyl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13(29),14,16,19,21,23,25,27-tridecaene (PubChem CID 118219882) has the molecular formula C38H23O2P and a molecular weight of 542.57 g/mol. Its IUPAC name is 10,20-diphenyl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13(29),14,16,19,21,23,25,27-tridecaene.

Molecular Properties

Compound Name10,20-diphenyl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13(29),14,16,19,21,23,25,27-tridecaene
PubChem CID118219882
Molecular FormulaC38H23O2P
Molecular Weight542.57 g/mol
Exact Mass542.14
IUPAC Name10,20-diphenyl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13(29),14,16,19,21,23,25,27-tridecaene
SMILESc1ccc(-c2c3c(cc4ccccc24)P2c4cc5ccccc5c(-c5ccccc5)c4Oc4cccc(c42)O3)cc1
InChIInChI=1S/C38H23O2P/c1-3-12-24(13-4-1)34-28-18-9-7-16-26(28)22-32-36(34)39-30-20-11-21-31-38(30)41(32)33-23-27-17-8-10-19-29(27)35(37(33)40-31)25-14-5-2-6-15-25/h1-23H
InChIKeyVZJDCFPYCHFRMV-UHFFFAOYSA-N
XLogP9.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.57
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 10,20-diphenyl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13(29),14,16,19,21,23,25,27-tridecaene with MolForge

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Related Compounds

15-(3,5-diphenylphenyl)-12,18-dioxa-1-phosphahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene
CID 144879376
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
14-(3-phenylphenyl)-12,18-dioxa-1-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene
CID 144878963
1-iodo-10-phenylanthracene
CID 141156342
20-[3-(3-phenanthren-2-ylphenyl)phenyl]-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene
CID 90065758
4-[4-(4-phenylphenyl)phenyl]-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene
CID 90267061
10-(4-benzo[a]anthracen-7-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 171045361
6-phenyl-5H-benzo[b]carbazole
CID 10756140
2-[1-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)naphthalen-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
CID 175690416
3-oxatetracyclo[9.4.0.02,4.06,10]pentadeca-1(15),2(4),5,7,9,11,13-heptaene
CID 71361424
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CID 12697982
4-anthracen-9-yl-N,N-diphenylaniline
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Frequently Asked Questions

What is the IUPAC name of 10,20-diphenyl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13(29),14,16,19,21,23,25,27-tridecaene?
The IUPAC name of 10,20-diphenyl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13(29),14,16,19,21,23,25,27-tridecaene (CID 118219882) is 10,20-diphenyl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13(29),14,16,19,21,23,25,27-tridecaene.
What is the SMILES notation for 10,20-diphenyl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13(29),14,16,19,21,23,25,27-tridecaene?
The canonical SMILES for 10,20-diphenyl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13(29),14,16,19,21,23,25,27-tridecaene is c1ccc(-c2c3c(cc4ccccc24)P2c4cc5ccccc5c(-c5ccccc5)c4Oc4cccc(c42)O3)cc1.
What is the InChIKey of 10,20-diphenyl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13(29),14,16,19,21,23,25,27-tridecaene?
The InChIKey is VZJDCFPYCHFRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23O2P/c1-3-12-24(13-4-1)34-28-18-9-7-16-26(28)22-32-36(34)39-30-20-11-21-31-38(30)41(32)33-23-27-17-8-10-19-29(27)35(37(33)40-31)25-14-5-2-6-15-25/h1-23H.
What are the key properties of 10,20-diphenyl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13(29),14,16,19,21,23,25,27-tridecaene?
10,20-diphenyl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13(29),14,16,19,21,23,25,27-tridecaene has a molecular weight of 542.57 g/mol, XLogP of 9.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,20-diphenyl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13(29),14,16,19,21,23,25,27-tridecaene is sourced from PubChem (CID 118219882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).