1-chloro-6-triphenylen-2-yldibenzofuran;4,4,5,5-tetramethyl-2-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane;uranium

C66H46BClO4U2 — CID 158232144

IUPAC1-chloro-6-triphenylen-2-yldibenzofuran;4,4,5,5-tetramethyl-2-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane;uranium
SMILESCC1(C)OB(c2cccc3oc4c(-c5ccc6c7ccccc7c7ccccc7c6c5)cccc4c23)OC1(C)C.Clc1cccc2oc3c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc3c12.[U].[U]
InChIInChI=1S/C36H29BO3.C30H17ClO.2U/c1-35(2)36(3,4)40-37(39-35)31-17-10-18-32-33(31)29-16-9-15-23(34(29)38-32)22-19-20-28-26-13-6-5-11-24(26)25-12-7-8-14-27(25)30(28)21-22;31-27-13-6-14-28-29(27)25-12-5-11-19(30(25)32-28)18-15-16-24-22-9-2-1-7-20(22)21-8-3-4-10-23(21)26(24)17-18;;/h5-21H,1-4H3;1-17H;;
InChIKeyYVJCWSBKBBCHCM-UHFFFAOYSA-N
MW1425.41 g/mol
LogP18.38
Rot. Bonds3

About 1-chloro-6-triphenylen-2-yldibenzofuran;4,4,5,5-tetramethyl-2-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane;uranium

1-chloro-6-triphenylen-2-yldibenzofuran;4,4,5,5-tetramethyl-2-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane;uranium (PubChem CID 158232144) has the molecular formula C66H46BClO4U2 and a molecular weight of 1425.41 g/mol. Its IUPAC name is 1-chloro-6-triphenylen-2-yldibenzofuran;4,4,5,5-tetramethyl-2-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane;uranium.

Molecular Properties

Compound Name1-chloro-6-triphenylen-2-yldibenzofuran;4,4,5,5-tetramethyl-2-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane;uranium
PubChem CID158232144
Molecular FormulaC66H46BClO4U2
Molecular Weight1425.41 g/mol
Exact Mass1424.42
IUPAC Name1-chloro-6-triphenylen-2-yldibenzofuran;4,4,5,5-tetramethyl-2-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane;uranium
SMILESCC1(C)OB(c2cccc3oc4c(-c5ccc6c7ccccc7c7ccccc7c6c5)cccc4c23)OC1(C)C.Clc1cccc2oc3c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc3c12.[U].[U]
InChIInChI=1S/C36H29BO3.C30H17ClO.2U/c1-35(2)36(3,4)40-37(39-35)31-17-10-18-32-33(31)29-16-9-15-23(34(29)38-32)22-19-20-28-26-13-6-5-11-24(26)25-12-7-8-14-27(25)30(28)21-22;31-27-13-6-14-28-29(27)25-12-5-11-19(30(25)32-28)18-15-16-24-22-9-2-1-7-20(22)21-8-3-4-10-23(21)26(24)17-18;;/h5-21H,1-4H3;1-17H;;
InChIKeyYVJCWSBKBBCHCM-UHFFFAOYSA-N
XLogP18.38
TPSA44.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001425.41
LogP ≤ 518.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-chloro-6-triphenylen-2-yldibenzofuran;4,4,5,5-tetramethyl-2-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane;uranium with MolForge

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Related Compounds

4,4,5,5-tetramethyl-2-[6-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,2-dioxaborolane
CID 164808595
9-phenyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole
CID 147279415
2-(4,6-diphenyldibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156803724
3-(9-chlorodibenzofuran-4-yl)-9-phenylcarbazole
CID 142624048
6-(4-tert-butylphenyl)-1-chlorodibenzofuran
CID 176607720
4,4,5,5-tetramethyl-2-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
CID 158470741
4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane
CID 156631285
4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
CID 144568493
4,4,5,5-tetramethyl-2-(8-phenanthren-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane
CID 140946516
8-chloronaphtho[2,1-b][1]benzofuran;4,4,5,5-tetramethyl-2-naphtho[2,1-b][1]benzofuran-8-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 162211794
N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-(4-phenylphenyl)aniline;8-chloronaphtho[2,1-b][1]benzofuran;methane;N-[4-(4-phenylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline
CID 158964418
4,4,5,5-tetramethyl-2-(1-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,2-dioxaborolane
CID 176853425

Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-triphenylen-2-yldibenzofuran;4,4,5,5-tetramethyl-2-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane;uranium?
The IUPAC name of 1-chloro-6-triphenylen-2-yldibenzofuran;4,4,5,5-tetramethyl-2-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane;uranium (CID 158232144) is 1-chloro-6-triphenylen-2-yldibenzofuran;4,4,5,5-tetramethyl-2-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane;uranium.
What is the SMILES notation for 1-chloro-6-triphenylen-2-yldibenzofuran;4,4,5,5-tetramethyl-2-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane;uranium?
The canonical SMILES for 1-chloro-6-triphenylen-2-yldibenzofuran;4,4,5,5-tetramethyl-2-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane;uranium is CC1(C)OB(c2cccc3oc4c(-c5ccc6c7ccccc7c7ccccc7c6c5)cccc4c23)OC1(C)C.Clc1cccc2oc3c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc3c12.[U].[U].
What is the InChIKey of 1-chloro-6-triphenylen-2-yldibenzofuran;4,4,5,5-tetramethyl-2-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane;uranium?
The InChIKey is YVJCWSBKBBCHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29BO3.C30H17ClO.2U/c1-35(2)36(3,4)40-37(39-35)31-17-10-18-32-33(31)29-16-9-15-23(34(29)38-32)22-19-20-28-26-13-6-5-11-24(26)25-12-7-8-14-27(25)30(28)21-22;31-27-13-6-14-28-29(27)25-12-5-11-19(30(25)32-28)18-15-16-24-22-9-2-1-7-20(22)21-8-3-4-10-23(21)26(24)17-18;;/h5-21H,1-4H3;1-17H;;.
What are the key properties of 1-chloro-6-triphenylen-2-yldibenzofuran;4,4,5,5-tetramethyl-2-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane;uranium?
1-chloro-6-triphenylen-2-yldibenzofuran;4,4,5,5-tetramethyl-2-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane;uranium has a molecular weight of 1425.41 g/mol, XLogP of 18.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-triphenylen-2-yldibenzofuran;4,4,5,5-tetramethyl-2-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane;uranium is sourced from PubChem (CID 158232144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).