5-bis(4-phenylphenyl)phosphoryl-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene

C46H29O2P — CID 167110413

IUPAC5-bis(4-phenylphenyl)phosphoryl-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
SMILESO=P(c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)c1ccc2oc3cc4c5c(cccc5c3c2c1)-c1ccccc1-4
InChIInChI=1S/C46H29O2P/c47-49(34-22-18-32(19-23-34)30-10-3-1-4-11-30,35-24-20-33(21-25-35)31-12-5-2-6-13-31)36-26-27-43-42(28-36)46-40-17-9-16-39-37-14-7-8-15-38(37)41(45(39)40)29-44(46)48-43/h1-29H
InChIKeyHSJIRSPVTJOENJ-UHFFFAOYSA-N
MW644.71 g/mol
LogP11.36
Rot. Bonds5

About 5-bis(4-phenylphenyl)phosphoryl-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene

5-bis(4-phenylphenyl)phosphoryl-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene (PubChem CID 167110413) has the molecular formula C46H29O2P and a molecular weight of 644.71 g/mol. Its IUPAC name is 5-bis(4-phenylphenyl)phosphoryl-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene.

Molecular Properties

Compound Name5-bis(4-phenylphenyl)phosphoryl-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
PubChem CID167110413
Molecular FormulaC46H29O2P
Molecular Weight644.71 g/mol
Exact Mass644.19
IUPAC Name5-bis(4-phenylphenyl)phosphoryl-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
SMILESO=P(c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)c1ccc2oc3cc4c5c(cccc5c3c2c1)-c1ccccc1-4
InChIInChI=1S/C46H29O2P/c47-49(34-22-18-32(19-23-34)30-10-3-1-4-11-30,35-24-20-33(21-25-35)31-12-5-2-6-13-31)36-26-27-43-42(28-36)46-40-17-9-16-39-37-14-7-8-15-38(37)41(45(39)40)29-44(46)48-43/h1-29H
InChIKeyHSJIRSPVTJOENJ-UHFFFAOYSA-N
XLogP11.36
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.71
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bis(4-phenylphenyl)phosphoryl-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene with MolForge

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Related Compounds

[4-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)phenyl]-bis(4-phenylphenyl)phosphane
CID 144896297
6-(4-diphenylphosphorylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 138650767
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
CID 134301039
9-(3,5-dimethylphenyl)-3-[(8-diphenylphosphoryldibenzofuran-2-yl)-phenylphosphoryl]-6-[3-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118438937
5-[9-[3-phenyl-5-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]naphtho[2,1-b][1]benzofuran
CID 167419865
8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran
CID 166031069
2-naphthalen-2-yl-4-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-6-[3-[4-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaen-16-yl]phenyl]phenyl]-1,3,5-triazine
CID 166846491
7-phenyl-15-[phenyl-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)phosphoryl]-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
CID 122629588
8-(4-phenylquinazolin-2-yl)-4-oxa-20-azaheptacyclo[14.12.1.03,11.05,10.012,29.017,22.023,28]nonacosa-1,3(11),5(10),6,8,12(29),13,15,17(22),18,20,23,25,27-tetradecaene
CID 155771599
2-(4-fluoranthen-3-ylphenyl)dibenzofuran
CID 121287650
2-(10-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 167143797
2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483754

Frequently Asked Questions

What is the IUPAC name of 5-bis(4-phenylphenyl)phosphoryl-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?
The IUPAC name of 5-bis(4-phenylphenyl)phosphoryl-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene (CID 167110413) is 5-bis(4-phenylphenyl)phosphoryl-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene.
What is the SMILES notation for 5-bis(4-phenylphenyl)phosphoryl-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?
The canonical SMILES for 5-bis(4-phenylphenyl)phosphoryl-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene is O=P(c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)c1ccc2oc3cc4c5c(cccc5c3c2c1)-c1ccccc1-4.
What is the InChIKey of 5-bis(4-phenylphenyl)phosphoryl-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?
The InChIKey is HSJIRSPVTJOENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29O2P/c47-49(34-22-18-32(19-23-34)30-10-3-1-4-11-30,35-24-20-33(21-25-35)31-12-5-2-6-13-31)36-26-27-43-42(28-36)46-40-17-9-16-39-37-14-7-8-15-38(37)41(45(39)40)29-44(46)48-43/h1-29H.
What are the key properties of 5-bis(4-phenylphenyl)phosphoryl-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?
5-bis(4-phenylphenyl)phosphoryl-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene has a molecular weight of 644.71 g/mol, XLogP of 11.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bis(4-phenylphenyl)phosphoryl-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene is sourced from PubChem (CID 167110413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).