[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

C52H33OP — CID 144896297

IUPAC[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
SMILESc1ccc(-c2ccc(P(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6cc7c8c(cccc8c6c5c4)-c4ccccc4-7)cc3)cc2)cc1
InChIInChI=1S/C52H33OP/c1-3-10-34(11-4-1)36-18-25-40(26-19-36)54(41-27-20-37(21-28-41)35-12-5-2-6-13-35)42-29-22-38(23-30-42)39-24-31-49-48(32-39)52-46-17-9-16-45-43-14-7-8-15-44(43)47(51(45)46)33-50(52)53-49/h1-33H
InChIKeyVTUHWZFSHNKGSZ-UHFFFAOYSA-N
MW704.81 g/mol
LogP13.15
Rot. Bonds6

About [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

[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 (PubChem CID 144896297) has the molecular formula C52H33OP and a molecular weight of 704.81 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID144896297
Molecular FormulaC52H33OP
Molecular Weight704.81 g/mol
Exact Mass704.23
IUPAC Name[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
SMILESc1ccc(-c2ccc(P(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6cc7c8c(cccc8c6c5c4)-c4ccccc4-7)cc3)cc2)cc1
InChIInChI=1S/C52H33OP/c1-3-10-34(11-4-1)36-18-25-40(26-19-36)54(41-27-20-37(21-28-41)35-12-5-2-6-13-35)42-29-22-38(23-30-42)39-24-31-49-48(32-39)52-46-17-9-16-45-43-14-7-8-15-44(43)47(51(45)46)33-50(52)53-49/h1-33H
InChIKeyVTUHWZFSHNKGSZ-UHFFFAOYSA-N
XLogP13.15
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.81
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [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 with MolForge

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Related Compounds

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
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
5,18-diphenyl-11-(3-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 58004208
5-[3-(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-nonaen-5-yl)phenyl]-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 118148546
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
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
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-diphenyl-6-[2-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 161265664
2-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-4,6-diphenylpyridine
CID 146396782
5-phenyl-18-[3-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)phenyl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 142487755
8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 174167530

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is c1ccc(-c2ccc(P(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6cc7c8c(cccc8c6c5c4)-c4ccccc4-7)cc3)cc2)cc1.
What is the InChIKey of [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?
The InChIKey is VTUHWZFSHNKGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33OP/c1-3-10-34(11-4-1)36-18-25-40(26-19-36)54(41-27-20-37(21-28-41)35-12-5-2-6-13-35)42-29-22-38(23-30-42)39-24-31-49-48(32-39)52-46-17-9-16-45-43-14-7-8-15-44(43)47(51(45)46)33-50(52)53-49/h1-33H.
What are the key properties of [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?
[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 has a molecular weight of 704.81 g/mol, XLogP of 13.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 144896297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).