2-[4-(6,6-dimethylbenzo[c]chromen-3-yl)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C31H31BO3 — CID 168802712

IUPAC2-[4-(6,6-dimethylbenzo[c]chromen-3-yl)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)Oc2cc(-c3ccc(B4OC(C)(C)C(C)(C)O4)c4ccccc34)ccc2-c2ccccc21
InChIInChI=1S/C31H31BO3/c1-29(2)26-14-10-9-12-23(26)25-16-15-20(19-28(25)33-29)21-17-18-27(24-13-8-7-11-22(21)24)32-34-30(3,4)31(5,6)35-32/h7-19H,1-6H3
InChIKeyCMGQOCZNRZHENJ-UHFFFAOYSA-N
MW462.40 g/mol
LogP7.10
Rot. Bonds2

About 2-[4-(6,6-dimethylbenzo[c]chromen-3-yl)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[4-(6,6-dimethylbenzo[c]chromen-3-yl)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 168802712) has the molecular formula C31H31BO3 and a molecular weight of 462.40 g/mol. Its IUPAC name is 2-[4-(6,6-dimethylbenzo[c]chromen-3-yl)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[4-(6,6-dimethylbenzo[c]chromen-3-yl)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID168802712
Molecular FormulaC31H31BO3
Molecular Weight462.40 g/mol
Exact Mass462.24
IUPAC Name2-[4-(6,6-dimethylbenzo[c]chromen-3-yl)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)Oc2cc(-c3ccc(B4OC(C)(C)C(C)(C)O4)c4ccccc34)ccc2-c2ccccc21
InChIInChI=1S/C31H31BO3/c1-29(2)26-14-10-9-12-23(26)25-16-15-20(19-28(25)33-29)21-17-18-27(24-13-8-7-11-22(21)24)32-34-30(3,4)31(5,6)35-32/h7-19H,1-6H3
InChIKeyCMGQOCZNRZHENJ-UHFFFAOYSA-N
XLogP7.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.40
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(9,9-dimethylfluoren-2-yl)pyren-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 88889202
4,4,5,5-tetramethyl-2-(5-naphthalen-2-ylnaphthalen-1-yl)-1,3,2-dioxaborolane
CID 176598740
2-(6,6-dimethylbenzo[c]chromen-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 168802683
9,9-dimethyl-N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]fluoren-2-amine
CID 123886768
2-(3'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156675394
4,4,5,5-tetramethyl-2-(4-phenanthren-9-ylnaphthalen-1-yl)-1,3,2-dioxaborolane
CID 140877116
2-[2-(9,9-diphenylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140769877
2-(6,6-diphenylbenzo[c]chromen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 168802834
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
2-(7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140892174
3-isocyano-9-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]carbazole
CID 123245503
2-[2-(6,6-dimethylbenzo[c]chromen-3-yl)-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168803005

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,6-dimethylbenzo[c]chromen-3-yl)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[4-(6,6-dimethylbenzo[c]chromen-3-yl)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 168802712) is 2-[4-(6,6-dimethylbenzo[c]chromen-3-yl)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[4-(6,6-dimethylbenzo[c]chromen-3-yl)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[4-(6,6-dimethylbenzo[c]chromen-3-yl)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)Oc2cc(-c3ccc(B4OC(C)(C)C(C)(C)O4)c4ccccc34)ccc2-c2ccccc21.
What is the InChIKey of 2-[4-(6,6-dimethylbenzo[c]chromen-3-yl)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is CMGQOCZNRZHENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31BO3/c1-29(2)26-14-10-9-12-23(26)25-16-15-20(19-28(25)33-29)21-17-18-27(24-13-8-7-11-22(21)24)32-34-30(3,4)31(5,6)35-32/h7-19H,1-6H3.
What are the key properties of 2-[4-(6,6-dimethylbenzo[c]chromen-3-yl)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[4-(6,6-dimethylbenzo[c]chromen-3-yl)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 462.40 g/mol, XLogP of 7.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,6-dimethylbenzo[c]chromen-3-yl)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 168802712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).