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

C40H25O2P — CID 144879376

IUPAC15-(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
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc4c5c(c3)Oc3c(ccc6ccccc36)P5c3ccccc3O4)c2)cc1
InChIInChI=1S/C40H25O2P/c1-3-11-26(12-4-1)29-21-30(27-13-5-2-6-14-27)23-31(22-29)32-24-35-40-36(25-32)42-39-33-16-8-7-15-28(33)19-20-38(39)43(40)37-18-10-9-17-34(37)41-35/h1-25H
InChIKeyPULIIWTULVBWCR-UHFFFAOYSA-N
MW568.61 g/mol
LogP9.81
Rot. Bonds3

About 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

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 (PubChem CID 144879376) has the molecular formula C40H25O2P and a molecular weight of 568.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15-(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
PubChem CID144879376
Molecular FormulaC40H25O2P
Molecular Weight568.61 g/mol
Exact Mass568.16
IUPAC Name15-(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
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc4c5c(c3)Oc3c(ccc6ccccc36)P5c3ccccc3O4)c2)cc1
InChIInChI=1S/C40H25O2P/c1-3-11-26(12-4-1)29-21-30(27-13-5-2-6-14-27)23-31(22-29)32-24-35-40-36(25-32)42-39-33-16-8-7-15-28(33)19-20-38(39)43(40)37-18-10-9-17-34(37)41-35/h1-25H
InChIKeyPULIIWTULVBWCR-UHFFFAOYSA-N
XLogP9.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.61
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
9-[4-(16,22-dioxa-1-phosphaheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17,19,21(29),23,25,27-tridecaen-19-yl)phenyl]carbazole
CID 144879175
2-[3-(8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]pyrimidine
CID 144878740
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
5,17-di(dibenzofuran-4-yl)-11-phenyl-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 144879122
15-(3,5-diphenylphenyl)-1-sulfanylidene-12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.05,10.013,29.019,28.020,25]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene
CID 118219945
15-phenyl-1-sulfanylidene-12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene
CID 118220294
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235
14-triphenylen-2-yl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene
CID 144879437
14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16,18,20,22-undecaene
CID 171757612
9-bromobenzo[a]oxanthrene
CID 142294271
N,11-diphenyl-N-[4-(2-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8(13),9,11,16,18,20,22-undecaen-5-amine
CID 171757608

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc4c5c(c3)Oc3c(ccc6ccccc36)P5c3ccccc3O4)c2)cc1.
What is the InChIKey of 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?
The InChIKey is PULIIWTULVBWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25O2P/c1-3-11-26(12-4-1)29-21-30(27-13-5-2-6-14-27)23-31(22-29)32-24-35-40-36(25-32)42-39-33-16-8-7-15-28(33)19-20-38(39)43(40)37-18-10-9-17-34(37)41-35/h1-25H.
What are the key properties of 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?
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 has a molecular weight of 568.61 g/mol, XLogP of 9.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144879376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).